data_2rqm_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 2rqm _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 6' ' ' TYR . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.744 0.307 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' A' ' 11' ' ' MET . 97.7 m-20 -57.27 -65.75 0.57 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.571 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -50.24 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.076 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -67.57 0.39 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.65 -44.55 81.58 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.405 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.8 ttm -69.5 -34.93 75.01 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.796 -175.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.17 86.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.172 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -60.4 -33.05 71.93 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.436 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.91 -43.21 55.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.504 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 94.0 mt -85.95 -0.83 56.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -177.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -47.78 -46.05 29.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.954 0.502 . . . . 0.0 110.878 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.68 -42.46 97.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.474 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 85.3 m95 -67.78 -42.26 81.93 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.134 0.493 . . . . 0.0 109.874 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.37 -36.97 85.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.275 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.13 -47.21 87.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.787 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.67 -51.43 68.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.411 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -59.42 -34.54 72.6 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.77 -43.56 54.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.796 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.9 pp -78.14 -21.87 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.65 -45.69 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.571 . . . . 0.0 109.628 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.31 177.586 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.4 tttp . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.508 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 8.4 tpp180 -53.65 113.57 5.06 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.502 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 59.5 Cg_endo -70.59 -20.4 30.97 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.408 2.072 . . . . 0.0 112.363 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 m -81.15 108.54 14.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.416 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.601 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -80.31 -48.29 1.27 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.694 175.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.601 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 3.9 Cg_exo -78.58 100.63 1.38 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.151 1.901 . . . . 0.0 111.339 174.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.95 -19.81 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.604 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.565 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 13.0 m-20 -51.04 -26.99 6.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.262 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -57.69 -54.05 51.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.72 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -81.65 -24.53 36.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.214 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 36.2 ttmt -64.85 -55.23 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.291 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.014 -179.292 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.441 ' HA ' ' HA ' ' A' ' 108' ' ' MET . 1.7 pmm? -114.47 160.51 19.11 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.249 0.547 . . . . 0.0 110.972 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.554 ' SD ' ' NZ ' ' A' ' 119' ' ' LYS . 31.5 mtt -108.16 122.09 46.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.919 172.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -80.98 101.05 9.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 130' ' ' GLU . 34.5 t -100.44 99.21 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.651 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 27.8 m -78.2 95.14 4.89 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.883 HG11 HG21 ' A' ' 80' ' ' ILE . 25.6 t -85.82 -60.8 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.729 -171.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.0 m -77.91 -70.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.17 -171.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.16 9.42 80.12 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -171.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.414 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 9.1 t30 -126.65 133.25 24.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 123.529 0.731 . . . . 0.0 109.43 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -42.01 -34.56 2.7 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.964 3.109 . . . . 0.0 115.301 -172.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.661 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 72.9 p -65.24 102.11 0.62 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.79 0.329 . . . . 0.0 111.482 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.64 -24.12 63.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.083 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.661 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.9 ptmm? -47.88 -48.41 31.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.445 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 75.9 mm-40 -56.85 -48.84 77.15 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.109 0.48 . . . . 0.0 110.622 -175.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.7 m -63.93 -43.71 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.821 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.42 -46.94 86.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.76 0.314 . . . . 0.0 110.362 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt-10 -56.9 -57.51 12.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.35 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.883 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -64.21 -37.52 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.218 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -69.13 -35.53 76.49 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.504 0.193 . . . . 0.0 111.045 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.7 p -73.27 -31.63 64.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 94.0 mt -63.78 -45.21 90.77 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -61.16 -45.42 94.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.245 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.64 -34.4 64.9 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.12 -65.4 2.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.78 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.7 m -52.43 -46.94 66.61 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.92 -54.04 50.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.963 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.45 -30.49 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.728 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.451 ' N ' HD21 ' A' ' 90' ' ' ASN . 0.8 OUTLIER -71.27 -27.15 63.24 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.27 13.8 16.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.872 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.8 m120 69.31 17.56 8.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.806 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -95.54 89.44 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.413 ' HB3' ' NH2' ' A' ' 110' ' ' ARG . 28.7 t70 -84.04 103.02 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.07 168.92 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.124 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.474 ' HA ' ' NH1' ' A' ' 97' ' ' ARG . 15.9 mm100 -100.56 133.79 44.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.474 ' NH1' ' HA ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -141.15 124.28 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -175.43 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -135.22 149.06 49.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.018 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 tt -108.03 90.4 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.48 0.657 . . . . 0.0 110.543 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.7 m -116.57 108.82 26.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 105.07 2.71 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -167.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.6 m -40.47 -30.24 0.11 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -100.93 -22.66 14.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.767 0.318 . . . . 0.0 111.709 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.2 mmm-85 -97.38 112.4 24.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -170.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.14 116.07 31.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.407 ' O ' HG13 ' A' ' 106' ' ' ILE . 45.2 pt -96.4 121.16 46.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 111.31 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -102.82 102.3 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.339 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.469 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.4 ttm -87.58 120.37 28.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.829 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.509 HD13 ' HE2' ' A' ' 64' ' ' MET . 78.3 mt -98.19 128.42 44.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.198 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.413 ' NH2' ' HB3' ' A' ' 94' ' ' ASP . 37.5 ptt180 -86.84 -7.28 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 171.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -115.23 -169.61 1.6 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.292 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.17 -35.12 0.02 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.366 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.4 m -51.85 -45.21 63.94 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -99.99 26.66 6.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.42 68.29 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 111.496 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -74.32 -21.8 59.54 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -52.0 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 tt -65.68 -38.82 83.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.554 ' NZ ' ' SD ' ' A' ' 64' ' ' MET . 24.5 ttmm -57.26 -41.73 80.21 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.159 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.3 -49.53 77.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.721 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.84 -37.03 63.19 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.085 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 86.0 mt -69.75 -54.35 14.12 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.918 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.1 m -75.98 -5.88 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.653 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.6 t -63.33 -13.01 34.34 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.657 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.604 HE22 HD13 ' A' ' 80' ' ' ILE . 80.4 mt-30 -79.74 153.88 28.94 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.709 0.29 . . . . 0.0 111.062 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -42.66 64.13 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.993 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -67.07 -25.09 66.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 42.7 t 71.0 -60.68 0.5 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 111.198 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.6 161.82 0.24 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.099 0.56 . . . . 0.0 111.611 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.651 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 16.0 tt0 -85.66 113.62 22.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.943 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.524 HG22 HG12 ' A' ' 66' ' ' VAL . 49.1 t -117.18 97.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.0 p -107.61 160.15 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.46 HD22 ' HZ2' ' A' ' 119' ' ' LYS . 77.6 mt . . . . . 0 C--O 1.235 0.322 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.441 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 10.5 t80 . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.716 0.294 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -55.68 -70.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.624 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -62.05 -57.16 12.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.247 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -47.43 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 34.3 t70 -76.66 -47.82 20.93 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.758 -174.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.628 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 28.9 mmt -60.86 -32.64 72.06 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.91 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -63.71 -58.78 5.83 Favored 'General case' 0 C--O 1.226 -0.173 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 172.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -53.11 -27.54 21.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.78 -37.09 16.89 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.608 0.242 . . . . 0.0 111.136 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 18' ' ' TRP . 8.1 mp -110.52 25.95 11.21 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.954 0.354 . . . . 0.0 111.954 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ALA . 53.4 mt-10 -49.59 -22.83 1.4 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -52.38 -59.14 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.097 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.454 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 34.8 p-90 -68.83 -36.42 78.17 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.365 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.25 -62.37 1.89 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.303 0.573 . . . . 0.0 110.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 24' ' ' ILE . 38.4 ttmt -58.9 -47.65 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.302 -178.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.42 -39.04 82.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.24 -47.94 80.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.122 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.77 -37.49 84.5 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 20' ' ' LYS . 77.3 mt -64.92 -32.69 59.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -82.68 -26.18 32.31 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.987 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 120.987 0.423 . . . . 0.0 111.104 -177.446 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -49.34 106.09 0.59 Allowed Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -87.61 0.36 7.22 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.918 2.412 . . . . 0.0 113.17 -173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -70.9 109.01 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.507 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.573 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -66.66 -49.29 51.05 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 176.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 5.1 Cg_exo -74.84 107.06 2.39 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.1 1.867 . . . . 0.0 111.103 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.4 pt -70.41 -6.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.614 ' HA ' HD12 ' A' ' 44' ' ' LEU . 5.4 m-20 -48.96 -44.88 41.19 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.402 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -61.81 -51.08 69.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 m -76.86 -22.72 53.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.357 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.535 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -95.23 -43.31 8.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -177.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 40' ' ' ASP . 6.9 mp . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 C--O 1.232 0.143 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.4 mtm -126.37 129.2 48.33 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 120.955 0.407 . . . . 0.0 110.68 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.484 ' HG2' HD21 ' A' ' 133' ' ' LEU . 61.5 mtt -111.3 127.21 55.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.438 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.68 108.62 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.554 HG23 HD13 ' A' ' 122' ' ' LEU . 46.7 t -107.56 105.36 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.728 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 24.5 m -71.53 113.16 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 173.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.85 HG12 HG22 ' A' ' 80' ' ' ILE . 58.5 t -101.28 -60.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 111.096 -173.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -84.79 -46.1 11.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.032 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.21 -4.21 41.82 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.789 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.604 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.8 p-10 -127.25 161.54 53.66 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 33.3 Cg_endo -61.91 -17.06 53.49 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.382 2.721 . . . . 0.0 115.36 -170.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.2 m -63.08 90.65 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.508 0.671 . . . . 0.0 111.268 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.403 ' CD ' ' HZ1' ' A' ' 75' ' ' LYS . 0.8 OUTLIER -54.1 -25.01 19.73 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.063 -179.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 11.8 mptt -58.43 -54.59 45.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.012 -171.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.2 -40.88 97.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.781 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.2 m -65.24 -42.44 93.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.843 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.06 -45.35 85.71 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.131 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -57.67 -53.8 54.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.009 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.85 HG22 HG12 ' A' ' 68' ' ' VAL . 10.9 tp -62.62 -36.63 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.666 -176.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -63.79 -38.87 92.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 110.369 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.3 m -62.79 -41.96 99.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 HD13 HD13 ' A' ' 80' ' ' ILE . 75.0 mt -61.98 -43.76 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 178.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.513 ' NE1' ' NE2' ' A' ' 125' ' ' GLN . 13.6 m0 -60.88 -60.09 4.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.4 -27.78 64.6 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.41 63.74 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.765 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.453 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 20.4 m -81.81 -19.2 41.66 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.79 -48.52 10.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.139 0.495 . . . . 0.0 110.462 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.51 -26.43 62.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 35.7 p30 -71.51 -21.08 61.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.263 0.554 . . . . 0.0 110.082 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.01 6.93 47.73 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.947 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.0 m120 63.02 25.09 14.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.119 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -76.58 92.06 3.44 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.0 95.05 5.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.847 -174.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.46 ' HA ' ' HG3' ' A' ' 110' ' ' ARG . 27.4 m -133.74 162.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.708 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.691 ' HA ' HE21 ' A' ' 96' ' ' GLN . 0.0 OUTLIER -108.03 153.15 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.42 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -145.21 143.58 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.542 -174.102 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -141.51 148.73 39.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.6 tt -109.86 90.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.559 0.695 . . . . 0.0 109.566 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.0 m -118.38 110.46 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.439 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.32 101.03 1.67 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -169.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.5 m -53.45 -21.58 6.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -171.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.81 -26.12 61.39 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.939 0.4 . . . . 0.0 111.535 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 104' ' ' ARG . 11.2 ptp180 -139.23 175.6 9.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.44 0.638 . . . . 0.0 112.233 -168.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.14 142.83 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.785 172.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -111.09 133.01 58.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -115.44 118.67 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.379 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.461 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.1 mtt -94.7 97.45 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.5 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.409 ' N ' HD13 ' A' ' 109' ' ' LEU . 6.8 mp -71.67 129.37 38.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.653 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.46 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 88.3 mtt-85 -82.85 -6.64 59.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.203 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -149.74 177.24 9.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.372 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.47 22.16 4.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.018 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.7 m -81.12 -55.68 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.155 -175.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -100.51 21.58 13.05 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.312 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.36 -41.95 66.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.921 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -69.73 -31.07 68.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 0.0 110.227 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.61 -46.18 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.097 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.3 tt -65.23 -35.23 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 177.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -59.55 -50.31 74.4 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.491 ' HA ' HG23 ' A' ' 123' ' ' VAL . 36.3 t70 -60.02 -36.64 77.67 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.375 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -61.02 -43.08 99.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.554 HD13 HG23 ' A' ' 66' ' ' VAL . 93.9 mt -62.57 -51.17 68.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 120' ' ' ASP . 17.0 m -74.35 -17.16 16.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.619 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.84 -31.12 70.56 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.021 0.438 . . . . 0.0 110.003 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.513 ' NE2' ' NE1' ' A' ' 84' ' ' TRP . 24.9 mt-30 -86.98 135.03 33.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.031 177.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.67 -18.63 65.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.242 -171.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -76.9 -4.33 43.28 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.4 t -77.96 100.96 6.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.68 14.13 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.728 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 33.8 tt0 -151.2 119.32 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 -175.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.487 HG21 HG22 ' A' ' 66' ' ' VAL . 7.3 p -111.19 125.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 0.0 110.264 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.8 p -140.8 157.27 45.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.898 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.484 HD21 ' HG2' ' A' ' 64' ' ' MET . 53.5 mt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.494 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 4.8 p90 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.61 ' O ' ' HB3' ' A' ' 11' ' ' MET . 28.6 m-80 -56.01 -73.17 0.06 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.17 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -65.26 -65.57 0.66 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.857 0.361 . . . . 0.0 111.897 -173.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 33.4 t70 -69.91 -37.94 76.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.63 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.61 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 47.6 ttm -74.82 -37.01 62.43 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.937 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.36 82.57 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.136 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 62.2 mtm180 -63.13 -50.08 71.88 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.186 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.99 -51.86 64.89 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.14 -28.93 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.38 -42.64 96.05 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 16.5 mm100 -63.37 -51.21 66.85 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.03 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -60.06 -41.67 92.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.81 -43.74 95.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.917 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.644 ' O ' HG12 ' A' ' 24' ' ' ILE . 24.9 ttpp -54.54 -55.12 32.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.82 -46.05 83.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.88 -30.64 66.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.746 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.3 -38.19 24.69 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 20' ' ' LYS . 37.2 pt -89.3 -7.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.636 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -102.43 -41.42 6.31 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.461 0.172 . . . . 0.0 110.699 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.688 0.28 . . . . 0.0 110.267 -179.277 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -79.89 111.72 23.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.488 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 61.9 Cg_endo -87.99 1.78 6.63 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.202 2.601 . . . . 0.0 111.929 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -69.17 113.65 6.72 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.876 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -72.11 -34.78 3.04 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.563 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 17.1 Cg_exo -70.03 51.87 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.466 2.111 . . . . 0.0 113.035 175.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.6 -25.64 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 110.76 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.21 -40.46 64.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.675 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -67.45 -29.18 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -76.98 -33.74 57.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -78.49 -48.23 15.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.413 179.73 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 62' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.238 0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.438 ' HG2' HD11 ' A' ' 106' ' ' ILE . 2.4 mpp? -122.58 151.66 41.2 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.325 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.565 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 59.2 mtt -114.6 121.52 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.92 171.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -91.1 128.35 36.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.109 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 HG12 HG23 ' A' ' 131' ' ' VAL . 51.7 t -127.34 101.8 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.783 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.432 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 26.1 m -74.49 113.87 12.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.758 HG12 HG23 ' A' ' 80' ' ' ILE . 62.6 t -101.1 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.124 -173.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.444 ' OG ' ' HB2' ' A' ' 76' ' ' GLU . 18.1 m -78.51 -45.29 22.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -175.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.401 ' N ' ' HB2' ' A' ' 103' ' ' ASP . . . 76.47 -10.06 18.67 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.896 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.587 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.0 p-10 -125.65 162.23 46.1 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 18.3 Cg_endo -57.3 -18.73 31.78 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.168 2.579 . . . . 0.0 114.89 -169.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -62.14 99.88 0.15 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.65 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.514 ' HB2' ' OG ' ' A' ' 102' ' ' SER . 43.4 tt0 -67.67 -21.19 65.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.479 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -62.75 -44.22 96.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.797 -173.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.4 mm-40 -60.44 -51.43 69.53 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.85 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -59.5 -39.84 85.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.732 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -46.53 87.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.626 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 58.0 mm-40 -60.2 -52.3 65.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.293 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.758 HG23 HG12 ' A' ' 68' ' ' VAL . 11.1 tp -63.09 -36.58 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.743 -176.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -66.49 -43.26 85.83 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.458 ' HA ' ' HG2' ' A' ' 85' ' ' GLN . 5.5 p -64.67 -42.86 95.07 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.836 0.351 . . . . 0.0 110.504 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.9 mt -57.22 -44.2 83.51 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.286 176.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -66.64 -52.14 48.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.698 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 82' ' ' SER . 28.4 pt20 -59.75 -26.59 65.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.336 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.25 -61.68 3.59 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.018 172.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.3 m -57.35 -48.67 78.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.648 0.379 . . . . 0.0 111.911 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.85 -43.67 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -72.25 -20.95 61.46 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.442 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -26.93 67.18 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 170.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.48 10.01 36.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.557 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.3 t30 65.88 24.36 11.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.521 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -75.01 92.74 2.63 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.11 -0.369 . . . . 0.0 110.077 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.84 88.71 2.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.099 0.476 . . . . 0.0 109.936 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.9 t -129.94 150.94 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -100.39 139.79 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.613 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -130.22 121.76 26.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.257 -173.139 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -125.36 159.59 31.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.8 tt -119.71 89.35 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.796 0.808 . . . . 0.0 110.951 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.6 m -108.0 114.52 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.935 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.1 102.73 2.48 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -169.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.514 ' OG ' ' HB2' ' A' ' 74' ' ' GLU . 7.5 t -49.73 -22.6 1.44 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.401 ' HB2' ' N ' ' A' ' 70' ' ' GLY . 14.8 p-10 -101.26 0.88 38.17 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -146.93 162.68 38.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.119 0.485 . . . . 0.0 111.834 -171.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.3 160.4 29.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.634 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' A' ' 63' ' ' MET . 10.5 tt -132.79 121.05 43.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.001 0.429 . . . . 0.0 110.729 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.52 113.72 27.4 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 52.5 ttp -96.13 115.67 27.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.465 HD23 HG22 ' A' ' 118' ' ' ILE . 6.3 mp -92.01 139.42 30.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.295 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -78.08 -37.52 46.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.1 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.74 146.6 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.211 175.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.89 31.97 6.48 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.606 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -63.63 -55.21 25.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.949 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -102.3 28.36 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.02 75.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.613 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -73.31 -33.97 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.62 -53.04 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.518 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.465 HG22 HD23 ' A' ' 109' ' ' LEU . 11.3 tt -61.52 -38.23 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.86 -45.85 91.16 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.403 ' HA ' HG23 ' A' ' 123' ' ' VAL . 25.6 t70 -61.77 -40.75 96.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.33 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.77 -47.79 83.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.238 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 95.8 mt -61.62 -42.88 99.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.397 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.403 HG23 ' HA ' ' A' ' 120' ' ' ASP . 25.1 m -76.21 -24.71 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.463 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 t -70.54 -26.27 63.48 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.778 0.323 . . . . 0.0 110.397 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.539 ' HB2' ' SG ' ' A' ' 128' ' ' CYS . 14.1 mm100 -59.93 130.31 46.13 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.244 0.545 . . . . 0.0 111.084 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.0 -26.78 62.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.972 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -85.29 -3.48 58.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.364 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 125' ' ' GLN . 77.9 m -85.59 118.66 25.24 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.01 -51.59 6.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.579 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.432 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 40.4 mt-10 -130.74 131.04 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.21 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.453 HG23 HG12 ' A' ' 66' ' ' VAL . 61.3 t -131.82 115.75 28.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.3 m -149.11 129.44 13.77 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.891 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.565 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.3 pp . . . . . 0 C--O 1.235 0.332 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.466 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.706 0.289 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 11' ' ' MET . 14.1 m120 -56.27 -59.21 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 15.5 t70 -52.44 -63.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.908 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.602 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -52.59 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.002 0.43 . . . . 0.0 110.987 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.42 -60.71 3.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.401 -173.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.52 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.8 ttm -69.18 -43.1 74.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -170.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.63 -41.67 68.55 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.504 -177.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.0 mmt180 -75.22 -11.52 60.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.18 -53.12 8.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.432 166.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.1 pt? -138.26 66.54 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.602 0.715 . . . . 0.0 111.276 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ALA . 31.0 tt0 -58.13 -10.27 1.83 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.719 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -39.42 -47.59 1.82 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -69.94 -40.22 75.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.498 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.77 -49.63 75.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' O ' HG13 ' A' ' 24' ' ' ILE . 88.5 tttt -60.97 -49.2 78.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.808 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.2 -54.06 50.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.009 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.68 -31.88 72.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.31 -42.51 83.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.517 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 20' ' ' LYS . 80.2 mt -65.48 -48.0 84.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -59.57 -37.2 77.83 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.136 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.117 179.85 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 1.7 tpmt? . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 5.8 ppt_? -70.49 144.95 92.26 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.473 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 4.5 Cg_exo -81.4 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.489 2.126 . . . . 0.0 111.734 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -87.43 133.25 33.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.517 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -79.31 -49.05 1.47 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.215 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 2.8 Cg_exo -76.13 86.6 1.51 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.319 2.013 . . . . 0.0 112.065 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.4 pt -99.33 3.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.39 -54.01 30.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.481 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -59.53 -40.97 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -69.11 -33.35 73.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -76.7 -40.83 47.52 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.995 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.466 0.34 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.026 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 63' ' ' MET . 2.5 mpp? -126.81 113.0 16.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.438 ' HE2' ' HG ' ' A' ' 133' ' ' LEU . 18.2 ptp -107.76 125.06 50.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 0.0 111.121 -176.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -89.69 117.04 28.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.985 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.468 HG22 HD12 ' A' ' 122' ' ' LEU . 21.9 t -98.26 111.52 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.519 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 m -78.25 100.21 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.66 HG13 HG22 ' A' ' 80' ' ' ILE . 21.5 t -102.15 -61.38 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -171.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.547 ' HB2' ' OD1' ' A' ' 71' ' ' ASN . 81.1 p -83.29 -66.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.782 -167.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.449 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 90.04 10.11 64.88 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -174.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.547 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 2.9 p-10 -126.61 145.21 52.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -67.1 -28.44 41.03 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.111 2.541 . . . . 0.0 112.88 -174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.434 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 10.5 p -63.43 117.5 6.78 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.1 0.476 . . . . 0.0 110.835 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.62 -33.27 75.55 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.826 -173.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.1 ptmm? -37.8 -48.41 1.1 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.823 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.57 -56.66 14.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.93 0.395 . . . . 0.0 111.082 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.495 ' HA ' HG21 ' A' ' 80' ' ' ILE . 15.0 t -65.31 -30.87 71.77 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.386 -177.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.97 -52.24 66.25 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -59.98 -58.63 7.72 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.992 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.66 HG22 HG13 ' A' ' 68' ' ' VAL . 8.9 tp -60.06 -43.87 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.49 -173.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 m -67.63 -30.9 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.525 0.203 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.1 t -64.73 -44.44 90.16 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.61 -48.65 80.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.452 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 25.8 m0 -60.32 -41.54 93.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.486 177.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -51.96 62.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.912 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.65 76.28 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.05 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.6 t -59.11 -47.19 86.17 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.721 0.296 . . . . 0.0 111.2 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 85.1 mt -66.81 -40.23 87.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.809 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.49 -25.8 64.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.567 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.23 -35.88 68.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.65 -3.69 42.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.593 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 67.1 27.03 8.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.366 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -70.3 128.14 35.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.321 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.5 73.68 4.07 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.604 0.716 . . . . 0.0 109.281 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.577 HG11 ' HG ' ' A' ' 109' ' ' LEU . 35.4 m -125.84 157.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.757 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.533 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 25.2 mm-40 -125.26 145.58 49.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 177.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.682 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -121.69 129.27 52.63 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.523 ' HB2' HG22 ' A' ' 106' ' ' ILE . 97.2 m-85 -137.76 146.62 43.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 0.0 110.239 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -110.84 124.59 67.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.438 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.7 p -151.26 101.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.62 101.22 0.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -170.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.462 ' HA ' HG21 ' A' ' 77' ' ' THR . 45.1 t -47.64 -31.54 4.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -170.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.449 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 3.5 m-20 -52.08 -37.17 53.01 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.934 0.397 . . . . 0.0 111.453 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -139.34 138.67 36.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.585 -173.706 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.07 140.8 39.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.523 HG22 ' HB2' ' A' ' 98' ' ' PHE . 6.8 tt -100.6 125.5 54.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 110.876 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -107.85 113.32 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.578 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.533 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 62.2 mtt -93.45 135.45 34.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.336 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.577 ' HG ' HG11 ' A' ' 95' ' ' VAL . 6.0 mp -127.16 122.53 34.39 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -76.85 -30.35 56.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.364 0.602 . . . . 0.0 109.541 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.64 138.08 54.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.23 -0.896 . . . . 0.0 108.892 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.16 21.8 8.68 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.808 -172.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.0 p -66.73 -36.69 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.631 0.716 . . . . 0.0 110.019 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -98.26 19.45 14.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.927 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.91 66.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 111.349 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -77.51 -30.76 53.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.581 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.74 -46.93 62.11 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.57 HG23 HD23 ' A' ' 109' ' ' LEU . 11.7 tt -67.81 -41.53 85.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.326 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.75 -43.15 94.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.993 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.545 ' HA ' HG22 ' A' ' 123' ' ' VAL . 31.4 t70 -58.94 -47.32 85.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.025 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -54.22 -42.89 70.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.66 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.468 HD12 HG22 ' A' ' 66' ' ' VAL . 89.4 mt -69.23 -43.27 74.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.284 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 120' ' ' ASP . 24.5 m -79.44 -8.79 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 m -74.82 -4.72 39.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.41 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.462 ' NE2' HD12 ' A' ' 80' ' ' ILE . 6.4 tp-100 -59.73 117.64 5.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 110.077 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.68 -22.14 47.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.311 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -76.24 -47.66 23.11 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.935 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.461 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 16.5 p 166.68 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.427 0.691 . . . . 0.0 109.685 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -173.15 156.94 3.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 111.475 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -160.37 132.43 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 172.371 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.446 HG21 HG21 ' A' ' 66' ' ' VAL . 50.0 t -118.69 106.9 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 -173.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.7 m -99.64 126.24 45.61 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.438 ' HG ' ' HE2' ' A' ' 64' ' ' MET . 6.8 mp . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 121.021 0.438 . . . . 0.0 112.057 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 . . . . . 0 C--O 1.23 0.051 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.2 m-20 -55.34 -50.23 70.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.826 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -50.22 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.622 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -55.17 38.5 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.743 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.26 -55.19 9.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.619 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.696 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 15.1 mmt -62.8 -37.38 86.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.386 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -60.88 -64.37 0.98 Allowed 'General case' 0 CA--C 1.526 0.039 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.174 176.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 26.1 mmt180 -66.21 -14.35 61.77 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -173.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' A' ' 15' ' ' LEU . 56.4 tp -85.35 -53.18 5.38 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.123 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD23 ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -127.62 38.1 4.1 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.091 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 11.8 pt-20 -58.98 -4.43 0.47 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -46.79 -54.47 9.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.945 0.498 . . . . 0.0 111.205 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -69.86 -32.67 71.17 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.94 -60.97 2.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.607 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' ILE . 14.8 ptmm? -63.26 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.32 -51.87 65.93 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.285 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -34.44 77.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.827 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -23.37 61.85 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 20' ' ' LYS . 83.1 mt -82.82 -35.52 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.031 0.443 . . . . 0.0 110.36 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.86 -39.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.987 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 87.1 tttt . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.532 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -50.35 112.07 2.57 Favored Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.715 0.406 . . . . 0.0 110.504 175.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.8 -41.31 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.177 1.918 . . . . 0.0 112.164 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 p -115.48 138.72 50.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.971 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -83.2 -50.84 0.68 Allowed Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 173.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.7 Cg_exo -76.44 108.37 2.65 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.222 1.948 . . . . 0.0 111.671 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.6 pt -66.72 -21.41 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 44' ' ' LEU . 31.9 t70 -50.89 -59.87 3.67 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 90.3 m-85 -62.38 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.502 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 t -61.4 -43.5 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -74.82 -31.29 61.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.646 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 40' ' ' ASP . 10.1 mp . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 172.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.562 HD11 ' N ' ' A' ' 63' ' ' MET . 1.3 tm? . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.562 ' N ' HD11 ' A' ' 62' ' ' LEU . 21.7 ptm -146.44 142.33 28.03 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.444 ' HE2' HD13 ' A' ' 109' ' ' LEU . 52.1 mtt -123.5 123.94 41.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.23 -172.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -90.9 96.51 10.67 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 122' ' ' LEU . 16.4 t -90.67 104.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.603 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 m -76.28 97.19 4.12 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.761 HG13 HG21 ' A' ' 80' ' ' ILE . 24.1 t -101.64 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.186 -173.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.4 t -63.81 -67.01 0.46 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.825 -173.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.421 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 75.08 -1.36 55.93 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.833 -175.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.4 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 1.7 p-10 -126.14 151.81 72.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 122.775 0.43 . . . . 0.0 109.861 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.74 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.275 2.65 . . . . 0.0 113.64 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.4 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 5.9 p -59.3 97.07 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.356 0.598 . . . . 0.0 111.103 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.4 -27.22 14.92 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.308 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 3.8 mptp? -45.57 -41.17 9.63 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.563 0.54 . . . . 0.0 111.304 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.53 -60.11 4.31 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.215 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -68.16 -36.09 79.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.52 -58.19 9.67 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.402 0.62 . . . . 0.0 110.326 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.478 ' O ' HD12 ' A' ' 83' ' ' LEU . 44.6 mt-10 -62.4 -45.38 93.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.109 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.761 HG21 HG13 ' A' ' 68' ' ' VAL . 9.7 tp -62.24 -38.69 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.664 -177.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.3 m -65.51 -35.26 80.34 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.2 m -63.17 -41.78 99.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 79' ' ' GLU . 9.6 mp -63.11 -47.59 82.15 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.455 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 22.9 m0 -61.39 -41.19 96.73 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.89 -51.83 59.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.063 177.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.27 52.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.025 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 m -58.64 -48.39 81.18 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 88.0 mt -64.67 -39.06 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.84 -9.96 59.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.512 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -37.5 64.05 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 172.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.9 2.24 56.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.597 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t30 57.99 62.65 1.99 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.737 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -93.45 99.42 11.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.653 ' HB2' ' HE ' ' A' ' 110' ' ' ARG . 4.8 m-20 -65.27 82.49 0.05 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 m -125.32 157.76 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.656 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.736 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 45.8 mt-30 -102.01 151.63 21.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.463 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.98 122.42 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.02 -177.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -137.72 158.97 43.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -111.48 108.97 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.586 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.73 116.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.54 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.02 102.6 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 m -43.8 -26.51 0.26 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 8.5 m-20 -66.04 -41.97 90.17 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.489 ' H ' ' HD2' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -128.06 160.84 30.73 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.505 0.669 . . . . 0.0 112.205 -170.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.15 148.46 44.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.836 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.812 HG13 ' SD ' ' A' ' 108' ' ' MET . 6.5 tp -111.38 122.96 66.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.11 0.481 . . . . 0.0 111.246 -175.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.1 134.67 53.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.168 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.812 ' SD ' HG13 ' A' ' 106' ' ' ILE . 3.3 mpp? -116.24 123.19 47.11 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.526 0.33 . . . . 0.0 110.532 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.444 HD13 ' HE2' ' A' ' 64' ' ' MET . 52.1 mt -102.68 122.27 44.1 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.363 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.653 ' HE ' ' HB2' ' A' ' 94' ' ' ASP . 13.3 ptt180 -80.03 -22.98 41.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.38 142.87 50.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.754 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.95 5.32 32.25 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.404 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 m -67.47 -20.17 65.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.236 0.518 . . . . 0.0 110.964 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.407 ' O ' HG21 ' A' ' 118' ' ' ILE . 45.8 p90 -124.13 27.87 6.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.82 -60.53 3.56 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.378 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.487 ' HE3' ' HA ' ' A' ' 116' ' ' TRP . 1.4 m95 -70.53 -26.27 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.383 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.38 -57.37 12.54 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.627 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -64.75 -33.43 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.156 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -54.03 -52.11 61.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.48 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.658 ' HA ' HG21 ' A' ' 123' ' ' VAL . 7.2 m-20 -66.85 -38.4 86.3 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.579 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -55.13 -40.04 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.395 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 66' ' ' VAL . 92.5 mt -72.89 -52.25 15.45 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.265 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.658 HG21 ' HA ' ' A' ' 120' ' ' ASP . 20.9 m -68.46 -16.41 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.744 0.307 . . . . 0.0 111.734 -175.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -74.89 -0.58 18.99 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.597 ' NE2' HD12 ' A' ' 80' ' ' ILE . 6.4 tp-100 -63.36 156.66 25.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.1 -47.55 74.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.552 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -82.77 2.35 34.39 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.684 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m 69.6 -67.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.598 0.759 . . . . 0.0 111.278 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.67 119.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.564 0.54 . . . . 0.0 111.575 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -79.64 113.13 17.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.984 0.421 . . . . 0.0 110.34 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.404 HG22 HG23 ' A' ' 66' ' ' VAL . 7.7 p -92.01 119.37 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 110.97 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.2 m -107.11 108.99 20.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.4 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.5 HD22 HD13 ' A' ' 62' ' ' LEU . 3.9 mp . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -173.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.792 0.33 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.561 ' O ' ' HB2' ' A' ' 11' ' ' MET . 32.3 m-80 -58.32 -52.6 64.93 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.904 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.13 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -58.42 6.46 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.06 -173.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.35 -44.44 75.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.866 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.66 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 22.9 mmt -70.78 -37.71 73.37 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.188 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.04 -57.5 12.29 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -50.63 -48.13 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.004 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -56.26 -45.97 79.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 11' ' ' MET . 4.6 mm? -78.41 -19.39 53.36 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.83 -177.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 48.8 mt-10 -81.1 -40.64 23.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.431 0.158 . . . . 0.0 110.716 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.536 ' HA ' HE21 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -52.55 -73.64 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.849 -176.243 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -51.71 -36.68 47.73 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.676 0.274 . . . . 0.0 111.139 -174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.66 -65.48 0.67 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.05 0.452 . . . . 0.0 110.916 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 22.7 pttp -71.23 -39.81 71.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.055 -174.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.4 -35.83 78.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.527 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.49 -34.12 58.65 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.21 -41.26 96.53 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.539 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 20' ' ' LYS . 81.0 mt -75.93 -42.18 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.173 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.36 -63.11 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 -177.68 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tptt . . . . . 0 C--O 1.234 0.263 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -59.14 130.58 86.92 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.677 175.268 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -57.07 -49.43 14.25 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.875 2.384 . . . . 0.0 112.434 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.516 ' O ' ' HD3' ' A' ' 34' ' ' ARG . 39.8 t -69.71 108.93 4.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.372 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.39 -48.54 0.16 Allowed Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 91.7 Cg_endo -78.69 48.84 2.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 122.388 2.059 . . . . 0.0 113.383 -173.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.42 HD12 ' NH1' ' A' ' 34' ' ' ARG . 59.8 mt -53.84 -55.66 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -55.35 -45.54 76.46 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.474 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.416 ' HB2' ' HB2' ' A' ' 38' ' ' PRO . 89.8 m-85 -59.7 -36.94 77.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -68.73 -30.61 69.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.499 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -68.37 -39.43 81.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.235 0.33 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.161 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.233 0.196 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.433 ' HE1' HD11 ' A' ' 106' ' ' ILE . 60.3 mtp -121.2 140.79 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.418 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 63.6 mtt -126.72 120.78 30.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.794 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.459 ' CZ ' HD13 ' A' ' 106' ' ' ILE . 76.6 m-85 -95.86 126.52 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 171.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.75 HG21 HD11 ' A' ' 122' ' ' LEU . 45.2 t -127.89 118.91 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.497 0.189 . . . . 0.0 110.708 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 129' ' ' ALA . 5.5 t -79.1 100.79 7.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.326 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 69' ' ' SER . 4.0 p -101.0 -57.55 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.492 -168.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.456 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 55.8 p -70.81 -62.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 111.3 -171.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.22 5.38 81.16 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.09 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.403 HD22 ' HB2' ' A' ' 76' ' ' GLU . 3.9 p-10 -125.85 146.98 57.17 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.22 -38.75 73.97 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.056 2.504 . . . . 0.0 113.369 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -67.3 118.27 10.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 111.388 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 77' ' ' THR . 12.4 pt-20 -75.2 -20.97 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -172.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.7 ' HB2' ' HZ2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -52.98 -37.13 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.357 178.601 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.591 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 12.8 mm-40 -65.4 -52.39 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.427 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 74' ' ' GLU . 15.3 t -63.41 -33.55 75.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.763 0.316 . . . . 0.0 110.277 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.46 -50.65 66.68 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.21 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 62.8 mm-40 -58.1 -55.97 28.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.3 tp -66.61 -39.17 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.5 m -67.45 -35.24 78.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.577 0.227 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.6 p -70.19 -37.15 75.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.022 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 96.6 mt -61.74 -44.77 96.27 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 110.029 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.575 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.6 m0 -56.94 -56.16 25.29 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.235 175.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.455 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 8.8 tt0 -47.02 -53.81 11.66 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.646 0.591 . . . . 0.0 110.583 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.41 -52.96 44.19 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.21 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 m -57.23 -39.58 75.82 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.646 0.26 . . . . 0.0 111.276 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 80.4 mt -64.4 -39.58 94.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.019 0.438 . . . . 0.0 110.779 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' HD1' ' O ' ' A' ' 85' ' ' GLN . 47.0 m-85 -78.4 -26.84 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -75.15 -26.88 59.47 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.47 5.86 22.34 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 65.99 19.61 11.23 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.079 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -66.63 -59.07 3.94 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.538 ' HB3' HH12 ' A' ' 110' ' ' ARG . 28.1 t70 64.12 103.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 -171.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 166.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.055 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.644 ' HB3' ' HB3' ' A' ' 108' ' ' MET . 48.0 tp60 -100.02 138.16 37.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.624 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -134.76 141.13 46.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 111.275 -168.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.486 ' HB2' HG21 ' A' ' 106' ' ' ILE . 59.8 m-85 -141.33 157.65 44.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.208 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -121.11 90.16 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 109.946 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.445 ' O ' HG21 ' A' ' 100' ' ' VAL . 18.8 m -108.88 99.91 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.919 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.64 103.23 0.99 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 p -44.09 -33.27 1.42 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.418 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 13.5 t70 -63.08 -37.66 88.11 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.059 0.457 . . . . 0.0 111.917 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -129.38 125.8 37.43 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.255 0.55 . . . . 0.0 111.928 -169.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.05 163.58 13.6 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.486 HG21 ' HB2' ' A' ' 98' ' ' PHE . 3.3 tt -138.31 140.05 40.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.473 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -125.99 162.59 24.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.644 ' HB3' ' HB3' ' A' ' 96' ' ' GLN . 51.2 ttm -135.43 119.34 17.38 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.645 HD23 HG21 ' A' ' 118' ' ' ILE . 5.4 mp -103.67 164.42 11.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.734 -174.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.538 HH12 ' HB3' ' A' ' 94' ' ' ASP . 85.6 mtm-85 -87.72 -55.48 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.682 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -135.44 162.59 32.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.043 0.449 . . . . 0.0 111.079 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.568 ' HA2' ' HB3' ' A' ' 115' ' ' ALA . . . -76.6 -2.42 75.23 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.654 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -52.01 -29.96 23.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.97 0.508 . . . . 0.0 111.815 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.457 ' O ' HG23 ' A' ' 118' ' ' ILE . 35.8 p90 -129.04 12.25 6.12 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.568 ' HB3' ' HA2' ' A' ' 112' ' ' GLY . . . -59.04 -49.9 76.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.492 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -74.22 -26.59 60.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.038 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.83 -49.5 37.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.154 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.645 HG21 HD23 ' A' ' 109' ' ' LEU . 11.7 tt -65.32 -42.31 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.23 -40.74 86.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.9 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.47 -51.66 68.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.85 -38.55 61.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.75 HD11 HG21 ' A' ' 66' ' ' VAL . 81.8 mt -72.58 -53.02 13.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.331 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 129' ' ' ALA . 32.8 m -71.49 -19.92 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.6 m -79.44 -0.72 34.17 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.568 ' HG2' ' H ' ' A' ' 127' ' ' ARG . 36.1 tt0 -66.09 145.73 55.5 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.033 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.68 -19.33 62.22 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.098 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.568 ' H ' ' HG2' ' A' ' 125' ' ' GLN . 71.8 mtt-85 -83.21 7.33 16.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 37.6 m 58.21 43.34 20.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.113 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 123' ' ' VAL . . . -61.86 98.99 0.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.055 -177.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.64 141.31 36.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.144 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.2 p -102.85 155.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.5 m -140.04 120.09 13.67 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.938 0.399 . . . . 0.0 110.291 -177.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.698 0.285 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -57.11 -65.57 0.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.445 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -54.52 -58.5 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.283 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -62.01 -63.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.786 -174.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.3 -47.07 83.8 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.758 0.314 . . . . 0.0 111.389 -172.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.2 ttm -66.96 -36.14 81.53 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.382 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 16' ' ' GLU . . . -62.58 -49.91 73.38 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 14.9 mmp_? -56.96 -26.95 60.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.25 -49.54 13.54 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.402 HD12 ' NE1' ' A' ' 18' ' ' TRP . 4.0 mm? -85.09 7.56 21.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -174.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 34.7 mm-40 -48.36 -28.82 3.43 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.741 0.305 . . . . 0.0 110.786 173.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -47.78 -46.89 30.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.79 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.402 ' NE1' HD12 ' A' ' 15' ' ' LEU . 14.7 m95 -67.81 -41.11 83.6 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.427 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.86 -41.05 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.7 tttt -63.36 -45.52 90.79 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 25.1 t70 -56.93 -46.08 82.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.111 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.64 -44.22 89.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.833 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.57 -36.93 84.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.029 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.7 mt -70.79 -35.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 47.4 mm-40 -70.68 -50.86 32.06 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.34 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -174.583 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.699 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -86.91 113.62 54.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.033 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.21 -45.52 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.961 1.774 . . . . 0.0 110.008 170.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -132.47 111.07 10.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.938 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -86.5 -52.04 0.45 Allowed Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.489 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.663 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 16.1 Cg_exo -69.7 124.12 10.8 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.232 1.954 . . . . 0.0 111.567 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.1 tt -60.25 -17.04 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.384 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.92 -41.73 58.91 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -62.91 -37.81 88.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.736 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -75.73 -30.0 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.639 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -74.76 -50.48 17.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 -178.349 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.44 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 109' ' ' LEU . 1.4 tt . . . . . 0 C--O 1.237 0.401 0 CA-C-O 121.195 0.521 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.561 ' SD ' HD11 ' A' ' 106' ' ' ILE . 53.8 mtm -131.83 130.55 41.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.351 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.447 ' HE1' ' O ' ' A' ' 115' ' ' ALA . 63.6 mtt -108.05 118.59 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.881 0.372 . . . . 0.0 110.266 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -93.77 106.54 18.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.013 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.545 HG21 HG12 ' A' ' 131' ' ' VAL . 35.7 t -97.27 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.571 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.0 m -72.77 91.65 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.732 HG12 HG21 ' A' ' 80' ' ' ILE . 57.7 t -81.75 -60.49 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.996 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.478 ' OG ' ' HA ' ' A' ' 103' ' ' ASP . 37.3 p -91.79 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.146 0.498 . . . . 0.0 111.707 -172.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.442 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 88.65 -0.95 83.37 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -173.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.57 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.4 p-10 -126.34 159.64 61.82 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 123.089 0.556 . . . . 0.0 109.531 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 38.7 Cg_endo -64.36 -23.84 65.05 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.79 2.327 . . . . 0.0 114.317 -167.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.54 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 80.9 p -64.63 96.6 0.18 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.09 0.472 . . . . 0.0 110.892 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.08 -20.21 63.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.98 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -40.7 -56.17 2.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.291 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.45 -58.61 6.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.343 -176.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m -63.48 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.461 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.95 -51.12 63.58 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.001 0.429 . . . . 0.0 110.37 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' O ' HD11 ' A' ' 83' ' ' LEU . 22.6 mm-40 -58.01 -53.15 61.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.924 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.732 HG21 HG12 ' A' ' 68' ' ' VAL . 9.7 tp -61.49 -37.28 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.676 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.1 m -64.51 -30.81 71.84 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.554 175.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 85' ' ' GLN . 39.9 m -70.7 -40.93 72.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.488 176.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.51 -47.56 85.6 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -63.65 -34.85 78.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' A' ' 82' ' ' SER . 28.4 tt0 -54.21 -62.58 1.56 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.05 -51.29 56.58 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.251 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 m -59.51 -50.34 74.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.82 -47.15 72.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.591 0.234 . . . . 0.0 111.096 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -70.48 -28.34 64.91 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.414 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.41 -31.16 70.31 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.02 9.72 11.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.71 22.14 10.44 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.337 0.655 . . . . 0.0 112.228 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -79.94 89.62 5.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 173.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.524 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 35.8 m-20 -72.82 79.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.89 -179.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.123 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -121.17 154.31 36.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.84 130.13 19.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.064 0.459 . . . . 0.0 110.118 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.472 ' HB2' HG21 ' A' ' 106' ' ' ILE . 57.1 m-85 -131.83 159.68 37.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.439 HD11 ' HA ' ' A' ' 102' ' ' SER . 13.2 tt -125.39 89.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.75 0.786 . . . . 0.0 110.782 177.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 100' ' ' VAL . 16.9 m -99.57 100.16 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.952 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.66 103.83 1.7 Allowed Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -169.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.439 ' HA ' HD11 ' A' ' 99' ' ' ILE . 24.3 m -54.84 -7.94 0.22 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -173.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.478 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 3.8 p-10 -91.72 -29.65 16.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.565 0.221 . . . . 0.0 111.172 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -124.32 124.87 43.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.137 0.494 . . . . 0.0 111.646 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.92 127.15 43.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.968 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.561 HD11 ' SD ' ' A' ' 63' ' ' MET . 2.4 tt -99.95 112.82 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.796 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -100.87 120.18 39.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.203 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 50.5 ttm -91.92 132.24 36.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.515 HD13 HD22 ' A' ' 62' ' ' LEU . 7.8 mp -98.3 165.38 11.89 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.524 ' NH1' ' HB2' ' A' ' 94' ' ' ASP . 40.3 ttt180 -91.12 -32.12 15.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.915 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -164.45 166.06 20.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.493 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.27 -11.59 69.11 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.706 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -56.62 -28.03 59.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.978 0.389 . . . . 0.0 112.018 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -118.84 25.64 10.08 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.498 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' ' HE1' ' A' ' 64' ' ' MET . . . -60.63 -50.78 72.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -66.32 -31.06 71.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.62 -51.82 60.69 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.2 tt -69.43 -40.56 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.433 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.573 ' HD2' HD12 ' A' ' 133' ' ' LEU . 64.7 tttp -60.2 -41.81 93.77 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.997 0.427 . . . . 0.0 110.433 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.547 ' HA ' HG23 ' A' ' 123' ' ' VAL . 24.1 t70 -64.7 -44.96 88.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.703 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -55.95 -40.5 73.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.554 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 96.8 mt -67.26 -42.4 83.95 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.547 HG23 ' HA ' ' A' ' 120' ' ' ASP . 20.0 m -79.19 -8.87 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.157 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.7 m -62.57 -15.09 49.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.968 0.413 . . . . 0.0 110.588 172.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.05 133.33 55.99 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.056 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -53.45 -46.36 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 84.9 mtm-85 -87.45 38.54 0.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.533 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.8 p -47.29 110.27 0.29 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.695 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.02 -158.32 0.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.126 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -79.76 117.7 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.214 0.53 . . . . 0.0 112.135 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.545 HG12 HG21 ' A' ' 66' ' ' VAL . 60.9 t -107.39 97.37 5.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.759 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.5 p -92.55 139.38 30.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.573 HD12 ' HD2' ' A' ' 119' ' ' LYS . 7.0 mp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.045 0.45 . . . . 0.0 111.296 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.0 t80 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.948 0.404 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 11' ' ' MET . 95.0 m-20 -61.82 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.943 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.2 p30 -57.63 -50.69 72.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.327 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.76 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.52 0.2 . . . . 0.0 111.468 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.55 -52.83 13.94 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.205 -172.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.747 ' HE1' ' HA ' ' A' ' 11' ' ' MET . 10.5 mmt -60.72 -42.2 96.8 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.871 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -70.69 -44.24 67.36 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.076 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -54.16 -31.43 52.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.368 . . . . 0.0 110.583 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -80.18 -44.14 20.33 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.16 24.54 8.55 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.68 0.276 . . . . 0.0 110.943 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 38.3 tt0 -45.85 -52.26 11.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.443 0.697 . . . . 0.0 112.45 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -54.34 -56.51 17.8 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.444 0.64 . . . . 0.0 111.102 -177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -63.58 -39.18 93.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.864 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -71.64 -45.08 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.562 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 12.0 ptmm? -62.79 -47.22 84.43 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.79 -44.7 80.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.04 -40.3 80.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.95 -41.25 87.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.012 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 20' ' ' LYS . 85.9 mt -61.21 -39.7 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.087 0.47 . . . . 0.0 110.512 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -82.61 -21.62 35.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 9.7 tp10 . . . . . 0 N--CA 1.468 0.434 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.368 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 1.6 tpmt? . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.689 0.281 . . . . 0.0 111.653 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.535 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 12.2 tpp180 -68.01 114.19 19.25 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.056 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.535 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 89.9 Cg_endo -82.15 2.42 8.54 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.162 2.574 . . . . 0.0 114.052 -173.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 p -68.07 110.97 4.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.594 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -88.34 -47.8 0.44 Allowed Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.099 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 89.7 Cg_endo -76.82 47.81 2.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 122.511 2.141 . . . . 0.0 112.719 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 pt -53.91 -26.38 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.892 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.49 -61.34 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.529 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -59.9 -37.22 78.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.509 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -64.95 -32.66 74.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.196 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -81.18 -35.56 31.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.455 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.465 0.279 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.392 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 63' ' ' MET . 1.3 pmm? -128.84 153.43 47.46 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.762 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 58.1 mtt -127.2 123.41 36.56 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.345 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -92.45 100.32 12.89 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 t -91.29 101.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 130' ' ' GLU . 5.7 t -84.18 102.62 12.73 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.534 0.683 . . . . 0.0 109.727 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.64 HG12 HG21 ' A' ' 80' ' ' ILE . 43.6 t -102.4 -51.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.111 -173.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.659 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 41.9 t -64.45 -72.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.161 -170.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.81 56.61 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.581 -171.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.572 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 3.3 p-10 -125.8 159.62 60.37 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.572 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 55.8 Cg_endo -67.91 -19.01 46.84 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.505 2.137 . . . . 0.0 114.33 -168.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.425 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 13.3 p -85.74 168.83 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.145 -0.347 . . . . 0.0 111.039 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.64 -31.99 9.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.538 ' HB3' ' HZ1' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -52.18 -42.0 63.1 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -168.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -59.64 -49.81 76.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -175.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.604 ' HG1' ' HB2' ' A' ' 69' ' ' SER . 58.3 m -74.25 -36.33 63.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.469 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.14 -52.35 64.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 109.697 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.51 -54.36 41.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.799 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.64 HG21 HG12 ' A' ' 68' ' ' VAL . 11.0 tp -59.84 -37.46 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.984 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -68.89 -35.81 77.32 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.0 m -64.82 -38.13 89.96 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.466 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.71 -47.11 85.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -61.51 -36.74 81.39 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.613 ' HG2' ' HD2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -57.65 -53.4 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.06 98.31 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.423 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.418 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 43.3 m -66.55 -58.69 4.68 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -174.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.39 -34.4 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 111.461 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -88.66 -21.46 23.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 18.2 p30 -76.37 -24.7 54.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.45 0.85 57.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.17 173.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.7 m120 62.24 63.95 1.01 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.119 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -109.2 112.38 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 170.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.27 84.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.02 -176.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.994 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.558 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 3.9 mm-40 -138.98 157.14 46.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.527 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.613 ' HD2' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -156.48 134.97 11.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.592 179.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -141.19 155.72 46.02 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.8 96.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.528 0.68 . . . . 0.0 110.04 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.0 p -114.79 105.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.94 99.82 0.35 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 p -50.48 -20.24 1.09 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -168.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.659 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-20 -60.27 -40.83 91.76 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.47 142.35 49.2 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.248 0.547 . . . . 0.0 111.862 -174.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.79 128.77 51.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.138 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -92.17 116.5 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 111.005 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -103.5 128.67 50.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.276 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 65.5 mtt -104.78 127.75 52.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -113.9 168.56 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.614 -174.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -96.56 -56.57 2.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.67 152.46 40.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.555 -170.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.53 -5.38 63.46 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.012 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.2 p -65.8 -72.87 0.14 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.448 0.299 . . . . 0.0 110.88 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.12 -12.9 61.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.432 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 119' ' ' LYS . . . -50.55 -39.32 48.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.381 0.61 . . . . 0.0 110.911 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.64 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 3.2 m95 -71.51 -41.16 69.57 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.698 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.14 -28.99 64.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.524 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -76.81 -31.66 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 116' ' ' TRP . 42.0 mtmt -54.4 -56.31 19.88 Favored 'General case' 0 C--N 1.346 0.445 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 168.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.13 -40.73 70.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -58.99 -45.72 89.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.526 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 85.7 mt -63.22 -39.44 94.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.069 0.461 . . . . 0.0 110.091 175.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 119' ' ' LYS . 82.1 t -64.8 -24.62 35.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.622 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.5 m -75.98 -0.81 22.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.472 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.501 ' HA ' ' OE1' ' A' ' 125' ' ' GLN . 9.9 mm-40 -81.2 145.97 30.73 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 111.726 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -49.11 -41.85 37.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.783 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.77 6.86 39.59 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -168.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.7 t 64.65 -73.76 0.05 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 70.48 -169.57 0.16 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.112 0.565 . . . . 0.0 111.006 -176.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.521 ' HB3' HG22 ' A' ' 67' ' ' THR . 34.2 tt0 -138.78 147.54 42.72 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.05 138.52 37.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.116 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.4 m -122.55 152.6 40.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.762 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 1.6 pt? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 117.865 0.302 . . . . 0.0 111.306 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 73.5 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.842 0.354 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' A' ' 11' ' ' MET . 81.0 m-20 -56.34 -65.79 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.269 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.45 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -64.86 0.73 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 2.7 m-20 -67.89 -54.97 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.246 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.557 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.9 ttm -65.66 -34.7 78.82 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.449 -171.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -61.89 -55.73 26.65 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 16.2 mmt180 -62.54 -12.31 21.78 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 80.8 mt -82.79 -42.01 18.45 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.385 0.136 . . . . 0.0 110.987 172.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 11' ' ' MET . 1.6 pp -126.71 38.06 4.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 111.224 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ALA . 9.1 pt-20 -49.01 -16.73 0.15 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -57.15 -49.36 76.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -62.81 -41.59 99.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 110.445 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.08 -45.55 75.4 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.778 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.11 -54.47 44.65 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 11.9 m-20 -73.91 -21.65 59.98 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.382 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.1 -44.16 63.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.732 0.301 . . . . 0.0 110.48 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -76.23 -54.36 13.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -77.6 -16.49 58.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 11.3 tt0 . . . . . 0 C--O 1.236 0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.5 170.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--O 1.232 0.158 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 31.0 ptt180 -76.83 117.38 64.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.591 0.234 . . . . 0.0 110.453 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 -8.91 19.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.188 . . . . 0.0 111.475 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -123.74 109.95 14.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.626 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -98.43 -52.5 0.2 Allowed Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.034 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 71.9 Cg_endo -82.79 42.69 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.413 2.075 . . . . 0.0 113.058 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.19 -49.51 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.29 -44.05 88.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.49 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.69 -37.45 87.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.771 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -73.35 -28.48 62.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -75.87 -53.59 8.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.345 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.465 0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.364 -177.235 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--O 1.236 0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.538 ' HG2' ' HG2' ' A' ' 108' ' ' MET . 46.4 mtt -128.84 149.79 50.6 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.9 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.9 mtt -129.86 118.83 22.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.483 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -90.0 101.99 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.51 HG23 HD11 ' A' ' 122' ' ' LEU . 25.0 t -94.23 101.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.421 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.445 ' HB ' ' HG3' ' A' ' 130' ' ' GLU . 36.8 m -82.92 110.04 17.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 109.923 177.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG12 HG22 ' A' ' 80' ' ' ILE . 45.3 t -102.03 -54.34 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.622 -172.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.647 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 52.8 p -79.69 -59.75 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.328 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.15 3.25 89.59 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.404 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 44.8 p30 -127.42 169.19 12.84 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.898 0.479 . . . . 0.0 109.774 177.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.01 -18.58 62.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.846 2.364 . . . . 0.0 112.571 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.411 HG21 ' HD3' ' A' ' 75' ' ' LYS . 32.5 m -62.77 95.23 0.07 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.458 0.647 . . . . 0.0 111.038 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.13 -15.75 62.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 3.5 mptp? -59.93 -39.52 85.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.453 -175.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.647 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 18.5 mm-40 -63.52 -55.04 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 t -63.52 -39.0 93.29 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.552 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -60.81 -52.74 63.79 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.294 0.568 . . . . 0.0 110.709 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 6.5 mm-40 -62.35 -49.13 76.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.304 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.512 HG22 HG12 ' A' ' 68' ' ' VAL . 9.9 tp -66.05 -37.23 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.831 -176.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 78.7 m -66.2 -41.71 89.81 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.466 ' HA ' HE21 ' A' ' 85' ' ' GLN . 5.0 p -63.97 -41.48 97.53 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.737 0.304 . . . . 0.0 110.579 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt -59.25 -47.04 86.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 110.534 175.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.438 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.6 m0 -63.77 -41.49 97.95 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.13 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.466 HE21 ' HA ' ' A' ' 82' ' ' SER . 47.6 mt-30 -54.93 -47.99 73.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 109.989 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.12 -49.8 72.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.063 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.0 m -63.78 -46.52 84.86 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.451 HD11 HG22 ' A' ' 95' ' ' VAL . 95.3 mt -62.25 -49.7 74.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 -175.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -73.38 -19.88 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -72.67 -40.66 66.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.861 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.48 -2.99 55.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.125 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 62.99 82.55 0.18 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -118.88 154.76 32.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.014 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.492 ' HB3' ' HE ' ' A' ' 110' ' ' ARG . 20.0 m-20 -95.94 78.79 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.323 0.582 . . . . 0.0 109.624 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.451 HG22 HD11 ' A' ' 88' ' ' LEU . 26.8 m -125.71 146.95 30.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.602 -173.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.524 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 52.0 mt-30 -113.45 158.99 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 170.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.565 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.6 138.02 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.622 0.248 . . . . 0.0 110.983 -173.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -141.52 132.51 26.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.975 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.8 tt -99.15 108.62 22.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.408 0.623 . . . . 0.0 110.486 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.26 129.77 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.528 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.73 102.33 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -172.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.5 m -48.36 -24.39 1.21 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.69 -38.63 89.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.964 0.411 . . . . 0.0 111.757 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.433 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -136.57 178.71 6.86 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.677 0.751 . . . . 0.0 112.584 -168.104 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.36 145.75 32.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.029 171.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.8 tt -111.16 133.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.27 143.39 40.52 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.403 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.538 ' HG2' ' HG2' ' A' ' 63' ' ' MET . 64.2 mtt -125.0 121.3 34.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.413 ' CD2' HG13 ' A' ' 95' ' ' VAL . 66.3 mt -90.33 145.62 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.492 ' HE ' ' HB3' ' A' ' 94' ' ' ASP . 27.6 mtm105 -95.43 5.53 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 109.918 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.21 -166.64 1.91 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.404 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.13 29.12 1.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.689 -0.565 . . . . 0.0 111.689 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 m -101.2 -68.69 0.8 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -84.92 22.12 1.45 Allowed 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.193 -0.317 . . . . 0.0 111.386 -173.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.27 68.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.617 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -27.74 63.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.288 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.26 -44.7 58.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.568 0.223 . . . . 0.0 110.425 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.7 tt -68.64 -39.49 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.516 ' HE2' ' HB ' ' A' ' 131' ' ' VAL . 10.0 tmtt? -56.72 -47.29 80.29 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 123' ' ' VAL . 15.9 t70 -61.76 -45.38 94.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.173 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -55.54 -40.32 71.72 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.804 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 89.3 mt -71.27 -44.86 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.134 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' A' ' 120' ' ' ASP . 14.6 p -73.94 -24.47 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.8 m -68.7 -4.28 15.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.408 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.516 ' HG3' ' H ' ' A' ' 127' ' ' ARG . 7.7 tp-100 -59.29 135.54 57.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.051 174.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.92 -29.74 56.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.692 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.516 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 10.4 mpt_? -73.22 -4.72 34.79 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.73 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 42.0 t 58.7 36.69 25.06 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.118 0.485 . . . . 0.0 110.694 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.43 130.98 48.7 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.445 ' HG3' ' HB ' ' A' ' 67' ' ' THR . 10.8 pt-20 -81.07 118.8 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.516 ' HB ' ' HE2' ' A' ' 119' ' ' LYS . 46.8 t -101.5 103.45 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.049 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.0 m -97.64 136.97 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 120.584 0.231 . . . . 0.0 110.469 -177.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 15.0 t80 . . . . . 0 C--O 1.235 0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 11' ' ' MET . 49.7 m-80 -64.19 -51.47 63.59 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.581 ' O ' ' HB1' ' A' ' 12' ' ' ALA . 22.7 t70 -52.48 -71.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.414 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.6 -70.86 0.07 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.73 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.4 m-20 -61.5 -65.37 0.7 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.359 -173.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.625 ' HE1' ' HA ' ' A' ' 11' ' ' MET . 24.1 mmt -68.18 -42.7 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.256 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -73.48 -45.03 56.48 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.758 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -68.71 -23.17 64.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.933 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 57.6 mt -71.99 -48.6 43.68 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.13 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.17 -7.52 58.98 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 52.7 mm-40 -48.62 -41.92 32.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 111.236 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -61.62 -38.0 86.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.989 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -70.74 -43.32 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.719 -176.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.26 -34.79 76.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.396 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.4 tttt -65.07 -48.72 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.2 -40.45 96.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.203 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.32 -38.84 84.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.986 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.61 -33.35 72.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.902 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 20' ' ' LYS . 79.8 mt -72.03 -38.3 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.515 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.91 -66.84 0.79 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.047 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.837 -176.541 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.32 0.581 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.78 100.63 49.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.84 -60.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.435 2.09 . . . . 0.0 113.614 -172.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 m -86.12 109.7 19.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.912 0.387 . . . . 0.0 111.2 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.2 -50.72 1.13 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.624 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.03 44.63 1.51 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.478 2.118 . . . . 0.0 113.035 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.2 pt -54.37 -33.39 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.592 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' HD13 ' A' ' 44' ' ' LEU . 33.1 t70 -54.31 -52.06 62.69 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.604 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.49 -31.55 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.944 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 m -73.89 -33.45 64.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -82.26 -44.02 16.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 40' ' ' ASP . 9.8 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.076 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 109' ' ' LEU . 2.1 tt . . . . . 0 C--O 1.236 0.359 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.3 mtm -127.18 138.53 53.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.245 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.483 ' HB3' HG21 ' A' ' 131' ' ' VAL . 62.7 mtt -119.77 116.97 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.669 0.271 . . . . 0.0 110.858 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.66 98.64 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 122' ' ' LEU . 13.4 t -89.92 106.32 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.018 -174.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.9 m -75.97 102.59 5.67 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.558 HG11 HG23 ' A' ' 80' ' ' ILE . 21.5 t -102.0 -62.34 2.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.058 0.456 . . . . 0.0 112.006 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -92.33 -55.18 3.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.127 -169.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.551 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 65.52 30.49 77.62 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.481 -173.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -116.97 165.47 15.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 122.736 0.414 . . . . 0.0 111.01 -171.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.7 -44.24 3.14 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.543 2.162 . . . . 0.0 112.242 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.591 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 7.0 p -73.83 91.4 1.95 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.415 0.626 . . . . 0.0 111.458 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.719 ' HG2' ' HB3' ' A' ' 102' ' ' SER . 32.7 mt-10 -55.49 -25.92 39.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.591 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.7 ptmm? -44.1 -46.88 8.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.479 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 42.7 mt-10 -65.03 -39.45 93.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.949 -173.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.6 m -65.47 -45.7 82.66 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.79 -52.45 65.0 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.254 0.549 . . . . 0.0 110.466 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 41.8 mt-10 -62.96 -47.68 82.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.435 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.558 HG23 HG11 ' A' ' 68' ' ' VAL . 9.8 tp -62.06 -38.62 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.6 m -63.83 -34.55 78.17 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.839 0.352 . . . . 0.0 110.421 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m -66.47 -41.34 89.16 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.544 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.01 -48.78 80.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.505 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 27.7 m0 -60.87 -42.88 98.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.651 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.424 ' HG3' ' HD2' ' A' ' 97' ' ' ARG . 29.3 tt0 -52.59 -55.67 20.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.37 -53.92 42.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.104 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.9 m -54.99 -46.74 75.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.07 -43.69 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.26 -25.27 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.041 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -21.26 63.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.075 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 14.83 30.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.491 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.1 m120 67.37 19.78 10.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.872 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -92.06 81.82 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.545 ' HB2' HH11 ' A' ' 110' ' ' ARG . 4.6 m-20 -69.54 77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.176 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -87.61 151.27 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.816 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.449 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 17.2 mm100 -99.8 101.12 12.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.51 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -116.25 131.44 56.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.978 -170.034 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -138.44 159.04 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.365 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -101.9 89.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.666 0.746 . . . . 0.0 110.443 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 100' ' ' VAL . 24.3 m -115.16 112.44 39.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.001 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.78 103.95 2.65 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -169.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.719 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 16.3 m -48.71 -23.8 1.17 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.551 ' HB2' ' HA2' ' A' ' 70' ' ' GLY . 8.7 p-10 -100.41 -17.87 17.0 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -176.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.62 140.87 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.191 0.52 . . . . 0.0 111.932 -171.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.16 171.57 7.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.572 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 10.2 tt -126.63 131.36 71.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.751 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -122.0 109.87 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.449 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.5 ttp -93.41 129.61 39.5 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.553 HD23 HD22 ' A' ' 62' ' ' LEU . 4.0 mm? -94.31 153.12 18.17 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.197 0.522 . . . . 0.0 111.572 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.545 HH11 ' HB2' ' A' ' 94' ' ' ASP . 46.5 mtm180 -79.55 -52.75 7.61 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -105.63 -167.14 1.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.723 -174.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -138.23 21.7 3.11 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.288 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -87.07 -68.31 0.76 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.761 0.315 . . . . 0.0 110.713 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -89.78 12.52 16.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.716 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.444 ' O ' ' HE3' ' A' ' 64' ' ' MET . . . -51.21 -38.86 54.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.825 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' A' ' 119' ' ' LYS . 8.1 m95 -69.57 -36.05 75.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.481 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.71 -37.99 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 109' ' ' LEU . 15.0 tt -68.87 -34.65 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 116' ' ' TRP . 22.0 ttpp -53.74 -53.12 56.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.832 170.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.593 ' HA ' HG12 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -58.89 -45.06 91.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.929 178.221 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -51.79 -46.11 64.07 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.058 0.456 . . . . 0.0 110.673 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 66' ' ' VAL . 74.7 mt -65.29 -49.79 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.219 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 120' ' ' ASP . 7.7 p -74.08 -15.79 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.448 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 72.1 m -64.92 -10.84 31.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.219 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.505 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 13.0 mm-40 -54.19 140.54 32.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.67 -36.13 75.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -81.15 6.68 13.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.317 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.1 m 59.77 81.41 0.17 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.616 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.07 97.19 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.105 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.36 129.02 34.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.05 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 64' ' ' MET . 5.3 p -117.52 128.69 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.09 -171.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.7 m -94.19 105.4 17.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.341 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 111.612 -176.62 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.659 0.266 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.0 m-20 -61.48 -52.05 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.92 -65.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -56.45 19.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.115 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.02 -45.88 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.657 -172.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.679 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 27.0 mmt -64.6 -38.29 90.51 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.854 178.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.84 -47.21 83.34 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -55.44 -42.64 74.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.321 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.35 -43.2 98.38 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.602 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 11' ' ' MET . 10.9 mp -74.46 -18.88 60.57 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.671 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 58.5 mt-10 -58.17 -25.93 62.11 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -60.28 -50.74 72.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.341 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -68.04 -41.64 81.79 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.632 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.25 -53.79 38.95 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.038 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -58.73 -41.14 85.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.263 -179.139 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.38 -49.7 76.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.277 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.84 -31.75 68.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.883 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.87 -45.26 28.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.948 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.609 HG12 ' O ' ' A' ' 20' ' ' LYS . 23.4 pt -76.67 -30.5 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.462 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.21 -23.14 20.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.158 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.858 176.341 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 tptm . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.818 0.342 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 3.2 ppt_? -76.89 143.02 70.22 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.173 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -62.27 -56.52 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.555 2.17 . . . . 0.0 111.808 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.5 p -130.47 144.44 51.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.167 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.552 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -76.08 -48.81 3.4 Favored Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 123.299 0.375 . . . . 0.0 111.648 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 82.3 Cg_endo -93.4 83.95 0.18 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.397 2.065 . . . . 0.0 112.104 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 39' ' ' ILE . 2.9 mp -62.76 -47.94 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.413 -177.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.32 -62.82 1.39 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.423 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.39 -38.21 88.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.489 -175.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 t -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.243 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -84.74 -43.33 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.326 . . . . 0.0 110.855 -174.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.236 0.353 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.292 -178.09 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -138.59 129.26 26.35 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.614 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 61.9 mtt -118.28 143.18 46.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.456 -176.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 124.51 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.725 HG21 HD13 ' A' ' 122' ' ' LEU . 43.3 t -116.3 113.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.081 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -77.08 108.45 10.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.575 ' HB ' HG23 ' A' ' 80' ' ' ILE . 30.2 m -100.89 -45.74 11.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.157 -168.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB2' ' OD1' ' A' ' 71' ' ' ASN . 55.9 p -92.02 -61.83 1.54 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.17 0.509 . . . . 0.0 110.477 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.73 -10.31 75.14 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -173.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.455 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 14.4 p-10 -127.08 158.16 69.84 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 123.375 0.67 . . . . 0.0 109.617 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.39 -18.96 67.01 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.25 2.633 . . . . 0.0 113.616 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.427 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 69.8 p -48.55 125.82 10.52 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.511 0.324 . . . . 0.0 111.686 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.146 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.541 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -63.03 -59.52 4.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.329 -172.077 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -51.21 -55.39 18.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.067 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -64.27 -37.48 87.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.969 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.6 -55.99 27.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.557 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.69 -46.33 88.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.339 -174.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.575 HG23 ' HB ' ' A' ' 68' ' ' VAL . 11.0 tp -71.67 -42.01 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.317 -176.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 m -68.78 -34.38 75.45 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.747 0.308 . . . . 0.0 110.412 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.1 t -67.77 -39.99 84.06 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.74 -53.39 58.35 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.466 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.472 ' CZ2' ' HG3' ' A' ' 125' ' ' GLN . 26.6 m0 -65.09 -38.76 91.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -54.91 -39.93 69.3 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.21 -49.28 5.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.04 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 t -54.94 -49.79 70.47 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.822 0.449 . . . . 0.0 111.862 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.588 HD12 HG23 ' A' ' 95' ' ' VAL . 97.2 mt -61.59 -32.88 73.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.882 0.373 . . . . 0.0 110.864 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -88.72 -9.69 51.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -80.83 -44.72 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.57 -12.04 59.99 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.323 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.83 78.47 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.482 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -124.68 130.59 52.7 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.9 91.08 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.343 0.592 . . . . 0.0 110.245 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.588 HG23 HD12 ' A' ' 88' ' ' LEU . 36.0 m -136.94 153.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.358 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.637 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 14.9 mm100 -101.51 110.08 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.697 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -111.8 121.29 44.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -177.118 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.4 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 98.4 m-85 -136.03 142.25 44.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.461 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 tt -96.22 90.78 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.464 0.649 . . . . 0.0 110.196 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.27 128.74 76.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.587 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.44 101.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.1 p -55.03 -15.62 2.22 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -171.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.92 -29.04 62.82 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.213 0.53 . . . . 0.0 110.822 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.53 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -142.11 -175.54 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.253 0.549 . . . . 0.0 111.816 -170.438 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.54 152.21 45.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.09 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.41 137.48 45.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.97 0.414 . . . . 0.0 111.007 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -127.76 106.91 9.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.335 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.637 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 68.3 mtm -95.64 114.94 26.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.6 mt -78.48 129.52 34.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.348 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -74.48 -44.59 50.78 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -116.28 131.57 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.373 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.41 3.94 69.44 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.464 -173.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -73.62 -28.28 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.16 0.48 . . . . 0.0 110.587 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -95.05 16.18 16.97 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.579 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.442 ' O ' HG21 ' A' ' 118' ' ' ILE . . . -56.65 -59.26 5.26 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -173.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.02 -36.25 81.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -176.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -62.41 -45.15 94.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.564 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 15.0 tt -69.84 -35.31 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.166 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.653 ' HB3' ' HZ2' ' A' ' 119' ' ' LYS . 10.4 mtpm? -52.98 -54.65 31.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.951 0.405 . . . . 0.0 110.157 174.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.562 ' HA ' HG11 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -60.25 -44.43 95.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.796 178.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -54.0 -40.64 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 0.0 110.86 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.725 HD13 HG21 ' A' ' 66' ' ' VAL . 80.6 mt -74.97 -44.09 50.31 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.17 -178.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.562 HG11 ' HA ' ' A' ' 120' ' ' ASP . 7.1 p -79.12 -13.96 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.306 . . . . 0.0 111.762 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.9 m -74.6 -4.51 37.55 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 122.245 -0.284 . . . . 0.0 111.345 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.472 ' HG3' ' CZ2' ' A' ' 84' ' ' TRP . 17.7 mm-40 -69.4 143.5 53.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.86 -22.11 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.75 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -55.79 -23.81 32.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.827 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.1 t 60.12 43.16 14.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.695 0.76 . . . . 0.0 109.177 -173.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.83 135.86 48.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.846 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 6.7 mm-40 -81.2 112.65 18.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.08 118.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.186 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.9 p -132.17 148.39 52.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.768 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.614 ' HG ' ' HG2' ' A' ' 64' ' ' MET . 5.4 mp . . . . . 0 C--N 1.331 -0.231 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.8 t80 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 11' ' ' MET . 95.3 m-20 -53.99 -65.23 0.61 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.196 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -50.42 -67.58 0.24 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.659 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.72 -70.43 0.09 Allowed 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.116 0.484 . . . . 0.0 111.155 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' HD12 ' A' ' 14' ' ' LEU . 26.8 t70 -70.12 -58.02 4.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.143 -172.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.507 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 tpp -66.06 -35.94 81.89 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.919 -170.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 8' ' ' ASP . . . -74.52 -33.02 62.69 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.556 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -61.95 -44.22 97.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.814 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 10' ' ' ASP . 11.2 mp -64.31 -52.86 56.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.2 mt -78.44 -6.05 54.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.812 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -52.6 -30.11 29.5 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.06 -43.26 77.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -78.42 -42.22 30.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.837 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.21 -53.32 59.14 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.269 0.557 . . . . 0.0 109.584 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 24' ' ' ILE . 24.3 ttmm -56.51 -43.72 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.215 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 27.8 t70 -51.63 -54.63 25.75 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.693 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.97 -37.96 84.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -69.33 -21.1 63.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.148 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.3 mt -86.92 -37.53 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.0 109.917 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 20.8 mm-40 -61.96 -30.52 70.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.41 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.564 173.86 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -70.98 148.74 94.65 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.45 -20.43 68.43 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.937 2.425 . . . . 0.0 112.84 -176.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 m -130.12 107.97 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.521 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 -50.92 0.28 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 64.9 Cg_exo -51.58 102.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.496 2.13 . . . . 0.0 112.8 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.02 -47.32 93.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.747 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' HD12 ' A' ' 44' ' ' LEU . 8.9 p-10 -58.92 -45.13 91.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.506 ' HB2' ' HB2' ' A' ' 38' ' ' PRO . 56.7 m-85 -59.88 -47.03 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.454 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.8 t -61.92 -28.88 69.84 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -84.39 -28.42 26.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 40' ' ' ASP . 10.8 mp . . . . . 0 N--CA 1.467 0.392 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.501 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.627 ' SD ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -133.52 145.09 49.82 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.563 0.697 . . . . 0.0 112.147 -171.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.658 ' HE3' ' HB2' ' A' ' 119' ' ' LYS . 63.0 mtt -117.25 124.73 49.77 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.183 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -87.09 114.1 23.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 66' ' ' VAL . 29.8 m -111.42 107.54 23.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.191 0.52 . . . . 0.0 111.322 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 27.1 m -77.09 106.91 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.662 HG13 HG22 ' A' ' 80' ' ' ILE . 24.5 t -102.95 -60.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.277 0.561 . . . . 0.0 111.454 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 19.3 m -75.25 -57.28 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 -171.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.36 64.02 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.884 -174.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 69' ' ' SER . 1.8 p-10 -109.98 160.83 26.67 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.875 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 81.6 Cg_endo -78.3 -24.17 8.15 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.593 2.195 . . . . 0.0 112.95 -177.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.411 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 15.7 p -65.76 100.31 0.53 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.385 0.612 . . . . 0.0 110.482 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' O ' HG22 ' A' ' 77' ' ' THR . 42.9 tt0 -63.12 -26.1 68.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.6 -172.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.4 ptmt -42.91 -34.4 0.96 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.822 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.37 -52.59 25.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.514 ' HA ' HG21 ' A' ' 80' ' ' ILE . 15.3 t -64.41 -32.1 73.58 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.123 -178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.57 -52.32 66.06 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' O ' HD11 ' A' ' 83' ' ' LEU . 75.5 mm-40 -53.06 -62.46 1.64 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.161 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.662 HG22 HG13 ' A' ' 68' ' ' VAL . 10.3 tp -59.74 -38.44 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.685 -172.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.5 m -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -63.53 -47.71 80.51 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.671 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.424 HD11 ' O ' ' A' ' 79' ' ' GLU . 10.9 mp -60.89 -42.13 97.4 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.434 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 6.5 m0 -62.82 -57.18 11.77 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.71 -37.07 70.43 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.373 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.84 -32.77 78.33 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.358 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.423 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 23.3 t -86.59 -21.44 26.83 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.156 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 95.7 mt -89.54 -47.98 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.585 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.41 -23.19 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -175.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 32.8 p30 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.299 0.571 . . . . 0.0 109.818 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.07 9.63 38.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.115 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.515 ' N ' HD21 ' A' ' 92' ' ' ASN . 0.8 OUTLIER 72.58 19.15 4.19 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.663 177.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -78.15 95.58 4.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.447 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.34 89.57 5.55 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.357 0.599 . . . . 0.0 109.961 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.1 144.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.904 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -101.36 120.1 39.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 -177.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.646 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -118.27 131.34 56.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.966 -174.61 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -126.65 142.58 51.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.409 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 tt -95.35 99.66 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.508 0.671 . . . . 0.0 110.633 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 100' ' ' VAL . 17.1 m -128.62 111.27 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.358 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.69 103.99 1.86 Allowed Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.006 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.7 m -53.95 -13.85 0.87 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 8.2 p-10 -99.24 -3.53 34.02 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.811 0.338 . . . . 0.0 111.343 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -151.21 178.28 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.305 0.574 . . . . 0.0 111.968 -170.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.17 162.51 36.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.807 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.7 tt -123.33 127.57 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -112.21 106.66 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.094 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -78.34 122.26 25.53 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 168.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.5 mt -95.63 103.4 15.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.8 -39.64 56.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.952 -173.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -108.35 111.58 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.186 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.81 -3.79 90.42 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.691 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.4 m -54.17 -25.54 23.07 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.677 0.275 . . . . 0.0 111.129 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -130.91 28.69 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.829 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.11 -57.71 11.03 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.401 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.507 ' HE3' ' HA ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -67.52 -26.55 66.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.088 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.43 -47.34 70.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.733 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.8 tt -70.87 -30.12 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.658 ' HB2' ' HE3' ' A' ' 64' ' ' MET . 1.1 tmmt? -60.17 -46.53 89.38 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.646 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -63.32 -38.14 89.98 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.117 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.65 -42.05 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.92 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -42.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 119' ' ' LYS . 84.3 t -67.41 -31.59 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 110.493 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -74.24 -22.67 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.49 ' NE2' HD11 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -63.78 126.72 28.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.106 0.479 . . . . 0.0 110.738 -177.584 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.63 -25.8 63.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.513 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.562 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 4.2 mmp_? -100.33 19.41 16.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.254 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 54.1 t -92.51 122.14 34.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.804 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 67' ' ' THR . . . -94.53 -55.46 3.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 111.044 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 37.6 mt-10 -140.6 138.09 34.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.615 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.91 125.87 67.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.4 m -128.29 109.95 11.94 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.221 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.441 HD22 ' HG2' ' A' ' 64' ' ' MET . 3.3 tm? . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' A' ' 11' ' ' MET . 42.5 m-80 -54.84 -60.99 2.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.09 -62.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.671 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.54 -63.28 1.22 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.879 0.371 . . . . 0.0 111.847 -174.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 1.8 m-20 -66.54 -52.78 41.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.873 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.437 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 46.1 ttm -65.05 -32.06 73.59 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.782 -172.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.36 67.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.838 0.351 . . . . 0.0 110.155 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.18 -34.26 66.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.196 179.401 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.01 -38.52 16.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.613 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -121.59 35.87 4.77 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -8.64 1.68 Allowed 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.379 -0.201 . . . . 0.0 111.38 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -52.06 -34.49 43.75 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 176.215 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -77.26 -42.96 35.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.481 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.51 -37.47 77.17 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.281 0.563 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.37 -47.47 79.15 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.733 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.18 -53.19 60.9 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.43 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -57.83 -47.5 82.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.43 -47.12 76.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 111.11 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -75.53 -53.19 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.529 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.22 -48.28 76.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.688 -174.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.264 -178.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.777 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.632 0.253 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 104.95 2.51 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.16 -57.01 1.46 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.225 2.617 . . . . 0.0 113.878 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -120.27 115.65 24.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 -175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.16 -50.59 0.54 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.34 28.64 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 122.456 2.104 . . . . 0.0 113.37 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.1 pt -62.19 -28.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.752 0.311 . . . . 0.0 110.729 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -68.16 -45.18 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.05 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -62.17 -34.27 76.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 0.0 109.809 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -73.26 -30.67 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.264 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.55 -47.3 76.33 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.616 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 177.693 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.462 0.157 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 63' ' ' MET . 1.1 pmm? -107.73 149.91 27.59 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.493 0.663 . . . . 0.0 110.983 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.429 ' HE2' HD23 ' A' ' 133' ' ' LEU . 66.1 mtt -129.38 153.99 47.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.327 -178.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -113.57 106.85 15.03 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG12 HG21 ' A' ' 131' ' ' VAL . 28.7 t -88.38 104.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.75 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -76.81 103.6 6.86 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.681 HG13 HG22 ' A' ' 80' ' ' ILE . 24.7 t -101.36 -62.53 2.0 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.568 -172.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.0 p -92.57 -61.5 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.266 -174.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.73 9.21 81.57 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.607 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 1.8 p-10 -126.81 163.24 42.43 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 123.219 0.608 . . . . 0.0 109.663 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.607 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 60.0 Cg_endo -70.19 -26.2 25.81 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.582 2.188 . . . . 0.0 114.015 -168.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.473 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 4.5 p -62.81 90.16 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.37 0.605 . . . . 0.0 111.0 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.45 -21.33 66.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.186 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -54.19 -48.29 71.15 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.5 -178.286 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.33 -45.62 92.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.981 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.8 m -64.01 -39.36 93.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -48.58 74.61 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.098 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.85 -54.39 46.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.855 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.681 HG22 HG13 ' A' ' 68' ' ' VAL . 10.8 tp -62.42 -36.96 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.789 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -30.04 68.01 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.693 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.5 m -68.84 -39.21 80.08 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.99 0.424 . . . . 0.0 109.912 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.74 -43.68 95.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.155 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -64.84 -37.98 89.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.501 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.485 ' HG2' HH11 ' A' ' 97' ' ' ARG . 0.6 OUTLIER -54.62 -56.43 19.12 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.6 -55.5 30.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.231 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -55.15 -52.92 61.75 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.423 0.289 . . . . 0.0 111.703 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 93' ' ' TYR . 94.0 mt -60.11 -47.5 85.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.646 0.26 . . . . 0.0 111.147 -176.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.09 -29.32 69.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 0.0 110.612 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.426 ' N ' HD21 ' A' ' 90' ' ' ASN . 0.9 OUTLIER -73.59 -19.54 60.85 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.063 0.458 . . . . 0.0 109.81 174.421 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.03 13.88 19.45 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.606 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 73.49 16.09 4.07 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.037 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 9.4 m-85 -75.73 121.56 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.723 0.296 . . . . 0.0 110.285 174.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -98.96 38.48 1.38 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.679 0.752 . . . . 0.0 109.481 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 m -87.06 170.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.764 -176.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.615 ' HB3' ' HB2' ' A' ' 108' ' ' MET . 6.7 tp-100 -117.17 153.2 33.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.485 HH11 ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -154.39 143.48 21.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.516 0.198 . . . . 0.0 110.899 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -141.56 150.07 41.61 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 tt -101.08 107.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.047 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.8 p -145.65 106.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.53 98.79 1.28 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -170.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 m -47.25 -30.48 3.07 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.69 -44.66 85.97 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.884 0.374 . . . . 0.0 111.777 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 ptp85 -134.85 137.61 43.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.145 -167.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.18 130.02 46.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.9 tt -93.43 119.79 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.972 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -111.13 118.23 35.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.384 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.615 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.0 mtt -94.7 106.52 18.5 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.006 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 118' ' ' ILE . 35.9 mt -93.69 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.102 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -63.84 -52.33 60.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.237 0.541 . . . . 0.0 110.453 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -164.13 -174.69 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.623 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.18 44.7 3.21 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.741 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 p -86.04 -70.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.89 23.5 12.76 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.661 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.24 -47.7 71.93 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.641 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -30.0 67.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.558 -178.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.61 -51.93 30.59 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.505 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.9 tt -65.56 -41.16 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.542 ' HG3' ' HB ' ' A' ' 131' ' ' VAL . 60.8 tttp -56.82 -45.14 82.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.037 176.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.14 -54.1 50.64 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.815 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -51.78 -49.14 63.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.456 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 87.6 mt -65.34 -37.6 87.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.236 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 119' ' ' LYS . 94.8 t -78.04 -22.03 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 110.808 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.7 m -70.36 -0.31 7.95 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.581 ' NE2' HD13 ' A' ' 80' ' ' ILE . 13.4 mm-40 -55.67 139.41 44.85 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.027 0.442 . . . . 0.0 110.701 176.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.64 -34.73 78.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.702 -174.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.64 4.95 19.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.08 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.0 t 70.27 155.51 0.14 Allowed 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.129 0.572 . . . . 0.0 111.344 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -170.85 -173.82 1.43 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.246 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.15 144.94 19.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.867 0.365 . . . . 0.0 110.244 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.542 ' HB ' ' HG3' ' A' ' 119' ' ' LYS . 43.2 t -121.87 110.25 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.871 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.1 p -95.28 147.13 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.429 HD23 ' HE2' ' A' ' 64' ' ' MET . 24.2 mt . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.417 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.099 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' A' ' 11' ' ' MET . 34.5 m-80 -55.66 -63.36 1.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -47.83 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.166 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 -55.38 33.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.7 t70 -74.11 -45.46 48.9 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.536 -169.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.534 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 ttm -72.18 -38.68 69.04 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.579 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.8 95.48 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.636 -0.425 . . . . 0.0 109.963 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.0 ttp-105 -63.0 -35.52 80.49 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.06 -52.37 36.01 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.7 -10.48 59.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.264 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.37 -46.19 55.82 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.087 0.47 . . . . 0.0 110.204 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.606 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 49.4 mt-30 -59.78 -52.86 63.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -56.77 -41.32 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.25 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.15 -60.23 3.0 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.94 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.606 ' HE3' ' HA ' ' A' ' 17' ' ' GLN . 22.3 pttp -62.13 -45.16 94.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.11 -41.54 97.22 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.53 -45.37 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.4 -50.08 66.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.293 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.6 mt -61.82 -48.24 89.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.412 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.31 -42.45 79.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.628 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.121 0.486 . . . . 0.0 112.014 176.408 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.2 tttp . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.509 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -75.85 108.58 6.2 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.457 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 18.8 Cg_endo -58.32 -32.36 95.88 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.709 2.273 . . . . 0.0 112.812 -173.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -69.43 111.87 5.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -64.66 -51.63 57.28 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.743 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 93.0 Cg_endo -80.1 89.86 1.29 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.861 1.707 . . . . 0.0 111.141 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.02 -28.14 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.361 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.95 -42.99 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.426 ' HD1' ' HB2' ' A' ' 38' ' ' PRO . 82.6 m-85 -65.38 -32.38 73.99 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.949 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -76.08 -38.22 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.115 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -67.08 -46.46 74.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.727 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.153 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 109' ' ' LEU . 1.5 tm? . . . . . 0 C--O 1.231 0.098 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 ptp -135.24 154.47 51.56 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.238 0.542 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.564 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 53.6 mtt -128.94 124.5 35.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.173 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -95.01 104.54 16.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 122' ' ' LEU . 16.7 t -100.53 108.44 23.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.72 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 t -79.34 101.1 7.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.292 0.568 . . . . 0.0 109.918 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.545 HG11 HG22 ' A' ' 80' ' ' ILE . 22.5 t -103.17 -44.36 9.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.542 -171.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.615 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 33.1 t -75.24 -71.0 0.39 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.37 10.11 40.46 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.752 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -125.88 127.79 24.69 Favored Pre-proline 0 C--O 1.234 0.261 0 C-N-CA 123.243 0.617 . . . . 0.0 109.799 -176.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -58.27 -23.5 62.85 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.85 2.367 . . . . 0.0 112.93 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -84.44 118.24 24.15 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.6 -10.48 35.91 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 15.3 ptmm? -44.8 -44.82 9.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.661 0.267 . . . . 0.0 111.681 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.62 -51.51 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.483 ' HA ' HG21 ' A' ' 80' ' ' ILE . 15.3 t -68.19 -33.76 75.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.74 -54.86 24.83 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 35.1 mm-40 -55.61 -53.3 58.13 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.965 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.545 HG22 HG11 ' A' ' 68' ' ' VAL . 9.9 tp -67.75 -42.72 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.674 -172.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.3 m -67.77 -38.19 83.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.397 0.141 . . . . 0.0 110.994 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.4 p -68.54 -49.41 59.76 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.741 0.305 . . . . 0.0 110.499 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.37 -44.78 89.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.473 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 5.6 m0 -61.45 -59.08 5.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -56.71 -36.72 70.0 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 110.626 -176.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.45 -49.79 58.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.576 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 t -57.56 -43.11 84.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.889 0.476 . . . . 0.0 110.968 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 82.5 mt -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.32 -20.14 55.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -33.72 73.85 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.1 -2.54 56.93 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.544 174.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.488 ' N ' HD21 ' A' ' 92' ' ' ASN . 0.9 OUTLIER 73.73 20.64 2.94 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.312 174.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -87.27 98.33 11.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -68.52 85.36 0.29 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.224 0.535 . . . . 0.0 111.079 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.22 160.03 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.892 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.68 145.23 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.61 139.75 23.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -137.03 156.56 48.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.1 tt -122.95 90.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.632 0.729 . . . . 0.0 110.391 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.434 ' O ' HG21 ' A' ' 100' ' ' VAL . 16.6 m -113.64 99.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.561 177.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' HA3' ' NH1' ' A' ' 104' ' ' ARG . . . 98.53 102.16 2.27 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.8 t -49.83 -18.08 0.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.615 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 23.0 t70 -73.29 -43.53 60.8 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.422 ' NH1' ' HA3' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -129.92 140.51 50.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.227 0.537 . . . . 0.0 112.139 -172.087 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.44 137.22 40.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.248 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.71 118.28 54.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -103.92 123.09 46.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.081 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 55.4 ttp -103.23 120.03 39.98 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' A' ' 62' ' ' LEU . 2.3 mm? -100.96 132.45 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.622 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -74.92 -28.01 60.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.312 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -121.14 148.9 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.525 -176.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.61 -5.75 33.66 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.718 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.7 t -73.25 -40.4 64.67 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.812 0.306 . . . . 0.0 110.243 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -83.39 -2.23 55.3 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.05 71.62 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.05 -41.53 67.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.649 0.262 . . . . 0.0 111.14 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -49.46 75.31 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 8.7 tp -67.36 -35.67 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.426 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -54.41 -53.59 52.03 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.07 0.462 . . . . 0.0 110.123 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.562 ' HA ' HG13 ' A' ' 123' ' ' VAL . 2.9 m-20 -64.5 -36.49 84.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.675 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.48 -48.74 79.79 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.62 HD13 HG21 ' A' ' 66' ' ' VAL . 90.5 mt -65.46 -48.92 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.325 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.562 HG13 ' HA ' ' A' ' 120' ' ' ASP . 12.3 p -70.36 -24.34 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.724 0.297 . . . . 0.0 111.267 -176.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -75.16 -3.11 30.97 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.096 -178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.494 ' NE2' HD12 ' A' ' 80' ' ' ILE . 6.6 tp-100 -60.56 147.68 40.73 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.364 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.94 -20.89 60.0 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -79.24 -16.42 56.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.438 0.161 . . . . 0.0 111.148 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.2 t 58.57 87.28 0.08 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.209 0.528 . . . . 0.0 110.14 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -110.2 135.96 50.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.844 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.76 118.35 22.8 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.981 0.419 . . . . 0.0 110.097 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.424 HG22 HG23 ' A' ' 66' ' ' VAL . 2.7 p -95.93 97.85 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.495 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.9 m -89.55 99.39 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.972 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.564 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 3.9 pp . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.692 0.282 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -60.23 -50.74 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -52.15 -64.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.384 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -55.72 20.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.703 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.53 -47.92 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.622 -173.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.721 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 16.6 mmt -65.87 -45.3 82.62 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.222 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.61 87.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.27 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.692 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 85.2 mtt180 -79.28 -12.24 59.95 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.163 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -71.99 -52.67 15.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.54 ' HA ' ' NE1' ' A' ' 18' ' ' TRP . 10.3 mp -64.06 -53.61 47.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.805 -177.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.692 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 10.4 pt-20 -61.28 -21.54 64.02 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 14.4 mm-40 -77.76 -55.74 5.08 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.279 -0.168 . . . . 0.0 111.365 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.54 ' NE1' ' HA ' ' A' ' 15' ' ' LEU . 55.2 p-90 -69.27 -22.31 63.83 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.749 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -66.35 -52.62 45.16 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.655 172.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -54.24 -45.37 72.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 109.998 177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.393 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.71 -18.82 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.764 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.48 -35.39 46.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 109.908 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pp -91.25 -15.32 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.817 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.05 -59.27 2.24 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.361 0.601 . . . . 0.0 109.983 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.941 179.762 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.041 0.448 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.406 HH21 ' CG ' ' A' ' 40' ' ' ASP . 37.2 ttt85 -95.99 115.36 65.5 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.078 -175.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.86 -36.37 50.85 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.627 2.218 . . . . 0.0 112.566 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.088 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.708 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -111.18 -60.3 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.323 175.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.708 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 34.7 Cg_exo -60.14 -61.65 0.19 Allowed 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.923 1.748 . . . . 0.0 112.509 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.0 mp -58.97 -37.02 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' CG ' HH21 ' A' ' 34' ' ' ARG . 14.8 t70 -54.18 -71.27 0.08 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.878 -177.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -56.15 -45.98 79.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.217 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.8 m -60.04 -32.34 70.82 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -76.87 -39.9 49.43 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 110.213 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 177.525 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 tp . . . . . 0 N--CA 1.458 -0.04 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 ptp -140.04 139.65 36.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.245 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.441 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 62.6 mtt -116.54 118.44 32.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -87.86 102.58 14.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.575 HG23 HD11 ' A' ' 122' ' ' LEU . 21.3 t -103.85 102.89 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.67 0.271 . . . . 0.0 110.822 -177.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 35.1 m -73.23 98.88 2.72 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.983 0.42 . . . . 0.0 109.98 177.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.425 ' HB ' HD13 ' A' ' 80' ' ' ILE . 28.0 m -102.41 -37.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.522 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.741 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.8 t -66.05 -71.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -168.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.2 52.42 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.497 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -126.29 132.74 24.43 Favored Pre-proline 0 C--O 1.234 0.278 0 C-N-CA 123.224 0.609 . . . . 0.0 109.507 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.23 -39.75 87.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.971 2.447 . . . . 0.0 113.125 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.775 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -75.6 133.41 40.91 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.729 0.299 . . . . 0.0 111.077 -177.284 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.62 -19.73 62.58 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.979 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.775 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 56.9 pttt -47.17 -54.92 9.49 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.474 ' HG2' ' HG3' ' A' ' 75' ' ' LYS . 6.5 mm-40 -64.02 -50.86 66.81 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 111.243 -171.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 69' ' ' SER . 12.7 t -61.48 -36.72 81.24 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.416 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.23 -43.02 92.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 25.1 mm-40 -57.98 -62.12 2.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.706 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.425 HD13 ' HB ' ' A' ' 68' ' ' VAL . 15.2 tt -62.38 -40.38 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -66.89 -36.07 81.45 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.282 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.9 m -69.8 -40.0 76.24 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 110.484 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.2 -50.13 74.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.506 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.4 m0 -62.11 -45.02 95.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.791 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.43 ' HG3' ' HG3' ' A' ' 97' ' ' ARG . 51.9 tt0 -50.6 -48.07 57.93 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.856 0.36 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.68 -52.98 44.71 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.139 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -62.69 -33.09 74.37 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -174.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 79.7 mt -66.46 -47.7 72.3 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.891 0.377 . . . . 0.0 110.206 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -70.13 -26.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.546 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -27.76 65.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.18 0.514 . . . . 0.0 109.946 173.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.27 6.35 43.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.392 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 65.23 20.88 12.01 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.089 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.17 96.84 1.13 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -72.05 85.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.962 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.45 169.12 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.639 -174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.806 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 14.8 mm100 -105.65 100.89 10.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.186 173.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.43 ' HG3' ' HG3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -91.2 120.57 32.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.283 -178.649 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.434 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 85.5 m-85 -141.86 161.26 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.862 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.9 tt -127.58 104.35 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.205 0.526 . . . . 0.0 110.731 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.8 106.57 20.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.19 102.64 1.86 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -168.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 m -44.06 -34.38 1.74 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -170.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.725 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 39.7 m-20 -76.0 -23.58 55.26 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -175.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 38.7 ptt180 -124.03 132.36 53.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 0.0 112.138 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.39 127.63 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 64' ' ' MET . 5.5 tt -99.49 114.36 37.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.305 0.574 . . . . 0.0 110.83 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.29 102.59 14.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.774 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.806 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 46.3 ttm -81.93 105.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.452 HD21 HD13 ' A' ' 118' ' ' ILE . 65.9 mt -78.91 120.41 23.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.862 -177.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.21 -18.03 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.077 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -161.19 164.89 30.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.8 9.3 27.74 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-O 119.657 -0.524 . . . . 0.0 114.328 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 m -60.3 -27.09 67.03 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 117.996 0.898 . . . . 0.0 111.292 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -112.77 16.68 19.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.49 70.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.565 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.403 ' CE3' ' HA ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -70.11 -29.41 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.429 -178.598 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.89 -48.71 52.23 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.878 0.371 . . . . 0.0 110.06 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.556 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.976 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.59 -45.89 81.13 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.65 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.891 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -52.23 -42.47 63.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.042 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.575 HD11 HG23 ' A' ' 66' ' ' VAL . 84.6 mt -65.42 -48.28 73.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.734 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 m -81.44 -3.44 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.876 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 m -60.28 -30.92 69.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.699 175.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -93.12 140.22 29.74 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.165 0.507 . . . . 0.0 110.352 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.92 0.22 21.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.505 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -92.53 7.28 43.87 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.44 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.42 112.28 23.84 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.32 -45.96 10.74 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 111.737 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.656 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 9.5 tp10 -145.28 146.79 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.205 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.497 HG22 HG22 ' A' ' 66' ' ' VAL . 3.9 p -148.16 103.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.268 0.556 . . . . 0.0 110.252 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -111.32 119.6 39.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.699 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.441 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.5 pp . . . . . 0 C--O 1.235 0.337 0 CA-C-O 120.933 0.397 . . . . 0.0 110.34 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' MET . 15.9 m120 -53.3 -58.31 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.829 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.8 t70 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.333 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.5 -68.5 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.93 -54.22 29.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.688 -171.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.508 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -70.69 -41.65 71.73 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.833 -170.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.92 -37.03 70.13 Favored 'General case' 0 N--CA 1.461 0.08 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.634 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -66.78 -32.43 73.71 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.012 0.434 . . . . 0.0 110.1 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.2 tp -71.56 -41.79 68.65 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.85 -4.04 57.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.702 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -48.79 -50.55 33.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.801 0.334 . . . . 0.0 110.606 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 23.1 tm0? -61.36 -41.63 97.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -61.71 -42.04 98.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.71 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.12 -44.98 62.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.005 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -66.1 -35.24 79.97 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.259 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.51 -50.8 69.96 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.257 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 38.7 t70 -60.83 -40.62 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.925 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.93 -43.42 86.26 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.368 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 20' ' ' LYS . 81.5 mt -61.95 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -77.45 -7.76 56.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.98 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 43.6 mt-10 . . . . . 0 N--CA 1.464 0.27 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 168.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.568 ' O ' ' HD3' ' A' ' 35' ' ' PRO . 34.8 ttpt . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 4.2 tmm_? -100.81 100.23 12.2 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 122.125 0.17 . . . . 0.0 110.72 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 53.1 Cg_endo -92.31 -2.62 3.93 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.255 2.637 . . . . 0.0 112.783 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 p -79.78 113.79 18.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.575 -174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.562 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.29 -50.1 0.3 Allowed Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.562 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 4.4 Cg_exo -77.13 101.04 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.129 1.886 . . . . 0.0 111.702 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 40' ' ' ASP . 2.7 pp -68.1 -16.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.315 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.482 ' N ' HD11 ' A' ' 39' ' ' ILE . 16.8 t70 -47.62 -56.02 8.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.95 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.83 -33.43 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.968 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -77.12 -31.2 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.902 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HZ2' ' HB3' ' A' ' 43' ' ' LYS . 8.0 mtpm? -90.5 -34.41 15.57 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.608 0.242 . . . . 0.0 111.409 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.111 -178.359 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -135.62 147.63 48.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.3 mtt -129.82 122.21 28.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -86.97 104.86 16.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.522 HG22 HG11 ' A' ' 131' ' ' VAL . 22.1 t -98.61 104.79 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.345 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -85.82 104.97 15.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.469 0.652 . . . . 0.0 109.661 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.63 HG13 HG22 ' A' ' 80' ' ' ILE . 17.2 t -102.61 -58.82 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.604 -172.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.521 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.2 t -72.25 -70.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.719 -171.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.96 -4.51 45.71 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.668 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.515 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 59.7 t30 -111.48 133.75 21.37 Favored Pre-proline 0 C--O 1.234 0.281 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.515 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 80.2 Cg_exo -48.56 -19.66 2.14 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.358 2.705 . . . . 0.0 114.052 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.617 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 77.1 p -67.87 100.53 0.96 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.817 0.341 . . . . 0.0 110.614 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -57.8 -28.87 64.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.617 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.9 ptmm? -47.18 -43.97 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.454 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.74 -53.09 61.62 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.406 ' HA ' HG21 ' A' ' 80' ' ' ILE . 14.7 t -70.81 -37.47 73.24 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.72 -176.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.63 -51.34 65.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.074 0.464 . . . . 0.0 110.337 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 45.7 mt-10 -61.81 -46.79 87.99 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.094 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 68' ' ' VAL . 11.3 tp -65.96 -39.6 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.978 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.7 m -64.22 -38.76 92.2 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.821 0.343 . . . . 0.0 110.539 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.8 m -63.92 -40.01 95.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.427 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.1 mt -60.72 -49.61 76.81 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.19 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -60.48 -40.96 93.19 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.679 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 89' ' ' PHE . 1.1 tm0? -52.24 -52.16 54.17 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.12 95.27 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.345 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 m -75.55 -20.4 58.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -94.91 -46.52 6.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.095 0.474 . . . . 0.0 110.691 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 86.0 m-85 -81.83 -2.69 51.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.958 -173.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -74.5 -27.48 60.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -103.64 14.68 30.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.698 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 44.35 63.54 1.62 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.669 -1.151 . . . . 0.0 113.267 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -87.89 109.18 19.59 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.442 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 4.5 m-20 -69.05 81.75 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.452 0.644 . . . . 0.0 110.737 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.7 m -131.61 156.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.875 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -115.14 140.76 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.161 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.513 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -135.38 131.5 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.692 -174.13 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -119.58 127.9 53.4 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 99' ' ' ILE . 8.3 tp -91.35 91.59 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.816 0.817 . . . . 0.0 110.155 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.17 137.47 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.247 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.07 103.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -51.89 -15.98 0.62 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.521 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.5 p-10 -100.31 -20.92 15.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 111.58 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -135.8 177.46 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.634 0.731 . . . . 0.0 112.329 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.6 138.63 23.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.09 172.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.9 tt -105.54 122.23 58.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.252 0.548 . . . . 0.0 111.23 -176.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -102.85 108.95 20.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.97 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 61.3 ttp -92.7 108.2 19.8 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.5 mt -84.6 134.97 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.294 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 94' ' ' ASP . 98.8 mtt180 -74.96 -20.4 59.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.117 0.484 . . . . 0.0 110.045 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -159.85 151.81 20.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.431 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.86 5.52 82.06 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.407 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -52.71 -36.61 57.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.466 0.306 . . . . 0.0 111.785 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -112.19 16.89 19.93 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 110.508 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.64 -57.69 11.82 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -172.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -62.93 -40.87 98.93 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.25 -47.14 80.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.322 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.641 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 14.2 tt -65.44 -35.44 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 123' ' ' VAL . 12.9 ttmm -54.89 -61.93 1.99 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.964 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -63.59 -30.81 71.87 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.225 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -57.14 -47.87 80.09 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 66.7 mt -66.54 -35.81 81.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.038 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 119' ' ' LYS . 61.0 t -70.02 -26.53 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.162 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.5 m -63.4 -10.21 15.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -70.15 149.23 47.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -62.63 -38.38 90.01 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.483 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 5.3 tpm_? -62.6 -29.09 70.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.2 t 65.78 120.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.687 0.617 . . . . 0.0 110.666 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.92 134.1 47.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -86.5 116.91 24.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.309 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.522 HG11 HG22 ' A' ' 66' ' ' VAL . 38.6 t -98.39 97.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.219 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.2 p -93.63 123.07 36.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.549 0.214 . . . . 0.0 111.18 -176.578 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 11' ' ' MET . 4.8 m-20 -54.76 -54.69 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.089 178.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -53.66 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.253 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.14 -65.67 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 111.495 -175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.14 -58.86 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.794 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.646 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 28.9 mmt -66.58 -24.43 66.34 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.285 -170.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.63 -64.68 1.02 Allowed 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.839 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 3.1 mmp_? -57.3 -12.57 2.5 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -174.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.9 mt -107.32 -52.51 2.75 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.5 18.19 12.84 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.6 -23.73 42.86 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.103 -0.373 . . . . 0.0 111.196 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -45.37 -48.71 13.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.113 0.483 . . . . 0.0 111.137 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -78.73 -43.67 25.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.469 -171.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -77.35 -27.84 52.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.042 0.449 . . . . 0.0 110.865 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -77.53 -37.36 51.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.27 -44.88 96.5 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -32.91 74.83 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.981 175.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.18 -38.57 91.53 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.058 0.456 . . . . 0.0 110.683 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.23 -26.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -76.02 -43.33 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.408 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.872 -175.686 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 65.2 tttp . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 20.6 tpp180 -55.82 113.73 6.21 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 122.363 0.265 . . . . 0.0 110.438 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.481 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 50.9 Cg_exo -55.06 -29.63 66.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.897 2.398 . . . . 0.0 112.726 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.404 ' OG ' HD12 ' A' ' 39' ' ' ILE . 25.4 p -100.45 108.67 20.72 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.459 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -61.38 -48.81 90.01 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.845 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 80.7 Cg_exo -47.82 -47.22 19.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 122.25 1.967 . . . . 0.0 112.763 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 ' OG ' ' A' ' 36' ' ' SER . 56.4 mt -65.05 -43.3 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.617 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.12 -57.09 14.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.429 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -63.65 -29.08 70.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -63.16 -41.13 99.21 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.87 -44.18 90.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.075 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 C--O 1.235 0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 177.366 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 63' ' ' MET . 5.9 tt . . . . . 0 C--O 1.234 0.284 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.569 ' N ' HD23 ' A' ' 62' ' ' LEU . 21.3 ptp -146.62 162.41 38.48 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.504 ' HE2' ' HG ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -146.12 139.04 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 111.323 175.442 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -96.84 108.38 21.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.291 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.566 HG22 HD11 ' A' ' 122' ' ' LEU . 17.9 t -96.28 106.68 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.783 -177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.724 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 22.8 m -78.06 101.65 7.06 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.559 HG12 HG21 ' A' ' 80' ' ' ILE . 18.7 t -102.34 -51.4 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.274 0.559 . . . . 0.0 111.334 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.52 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.4 t -76.26 -64.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.358 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.81 6.37 67.07 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -170.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.462 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 38.0 t30 -126.38 129.51 24.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.462 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 98.9 Cg_exo -46.73 -20.36 1.04 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.344 2.696 . . . . 0.0 114.292 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.5 m -57.21 100.48 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' H ' ' HG3' ' A' ' 74' ' ' GLU . 13.3 mt-10 -50.76 -33.0 21.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.656 0.741 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.611 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 3.1 mptp? -63.75 -31.84 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.161 -168.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.22 -58.81 6.37 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.497 ' HA ' HG23 ' A' ' 80' ' ' ILE . 8.8 t -67.23 -35.82 80.36 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.468 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -55.5 -58.32 8.27 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.09 0.471 . . . . 0.0 110.638 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 42.1 mm-40 -65.15 -46.32 81.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.35 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.559 HG21 HG12 ' A' ' 68' ' ' VAL . 10.3 tp -65.66 -39.34 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.05 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -70.02 -31.76 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.27 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 t -64.73 -41.36 96.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 97.7 mt -61.04 -47.19 87.55 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.231 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.421 ' HE1' ' HG3' ' A' ' 125' ' ' GLN . 35.4 m0 -64.87 -38.56 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.751 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -56.97 -53.33 59.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.92 88.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.905 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -56.37 -46.6 79.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 111.22 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.39 -34.37 75.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.66 -14.85 59.51 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.692 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.56 -42.27 18.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 172.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.15 53.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.442 176.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 67.39 76.52 0.28 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.525 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -134.22 105.38 6.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.785 173.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.24 91.06 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.087 0.47 . . . . 0.0 109.886 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.61 139.22 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.083 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -101.74 106.86 17.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.619 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -112.75 141.34 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.815 -175.371 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -135.9 149.67 49.06 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.03 0.443 . . . . 0.0 110.592 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.13 99.84 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.866 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 100' ' ' VAL . 15.1 m -125.38 101.69 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.311 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.82 104.33 2.05 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -170.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m -54.48 -14.77 1.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.52 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 9.0 p-10 -84.12 -25.07 29.98 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 120.892 0.377 . . . . 0.0 111.403 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -133.28 178.33 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.216 0.532 . . . . 0.0 111.789 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.28 139.24 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.15 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.4 tt -103.18 127.27 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.153 -177.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -109.25 115.94 30.96 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.756 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 81.9 mtp -102.33 120.65 40.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.396 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.659 HD22 HG22 ' A' ' 118' ' ' ILE . 6.0 mp -100.28 163.33 12.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.452 ' HA ' HH11 ' A' ' 110' ' ' ARG . 9.4 mmm180 -97.63 -23.42 15.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.086 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.55 ' HB3' ' HE1' ' A' ' 114' ' ' TYR . 13.2 t70 -137.39 151.23 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.7 -8.86 59.15 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.858 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.4 t -72.9 -55.16 7.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 117.437 0.619 . . . . 0.0 110.356 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.55 ' HE1' ' HB3' ' A' ' 111' ' ' ASP . 33.1 p90 -73.8 0.2 13.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.701 0.286 . . . . 0.0 110.792 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . . . -59.42 -38.04 79.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 177.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -39.16 65.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.1 -51.57 69.17 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.444 0.465 . . . . 0.0 110.719 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.659 HG22 HD22 ' A' ' 109' ' ' LEU . 11.3 tt -65.27 -38.0 81.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.688 ' HB3' ' HZ2' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -54.63 -44.87 73.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 176.662 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.543 ' HA ' HG23 ' A' ' 123' ' ' VAL . 56.1 m-20 -67.55 -45.31 76.01 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.175 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.66 -41.77 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.456 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.566 HD11 HG22 ' A' ' 66' ' ' VAL . 96.3 mt -67.34 -44.51 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.024 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.66 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 27.7 m -78.35 -12.39 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.45 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.2 m -85.11 -13.63 49.64 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.582 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.482 HE22 ' HB3' ' A' ' 127' ' ' ARG . 0.4 OUTLIER -76.05 126.62 31.34 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 175.705 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.52 -36.42 44.7 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -169.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.482 ' HB3' HE22 ' A' ' 125' ' ' GLN . 66.3 ttt180 -91.03 24.24 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.961 0.41 . . . . 0.0 111.445 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' A' ' 123' ' ' VAL . 42.5 t -74.43 94.56 2.59 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.022 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.49 5.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.22 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.724 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 4.9 tm-20 -151.94 144.88 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.416 HG22 HG21 ' A' ' 66' ' ' VAL . 4.4 p -144.89 104.82 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.26 0.552 . . . . 0.0 110.82 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 79.5 m -88.65 115.91 26.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.668 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.504 ' HG ' ' HE2' ' A' ' 64' ' ' MET . 6.8 tt . . . . . 0 CA--C 1.534 0.344 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.832 -172.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.2 t80 . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.629 0.252 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.485 ' N ' HD21 ' A' ' 7' ' ' ASN . 0.8 OUTLIER -58.57 -62.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.199 -177.674 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -57.79 -55.74 31.02 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -54.2 45.62 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.131 -173.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.84 -46.63 68.02 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.66 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 29.0 mmt -63.32 -40.76 98.21 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.332 -178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 110.178 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -54.38 -42.4 70.31 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.83 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -84.39 -52.71 5.97 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.533 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.83 -31.11 70.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.73 -34.04 69.07 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.423 . . . . 0.0 110.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -62.89 -45.6 91.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.831 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -64.57 -41.88 95.99 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.28 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.47 -61.26 2.53 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.725 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.691 ' HB3' ' HZ3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -60.1 -49.2 78.59 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.65 -176.554 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -57.58 -41.24 80.73 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.217 0.532 . . . . 0.0 110.416 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.61 -53.27 60.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.203 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -77.77 -20.96 52.47 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.423 -175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 20' ' ' LYS . 53.3 mt -65.91 -45.41 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 174.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.77 -40.94 63.09 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.358 0.599 . . . . 0.0 109.706 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 CA--C 1.537 0.467 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.98 179.61 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.033 0.444 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -83.71 111.15 30.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -46.91 -38.85 24.07 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.337 2.691 . . . . 0.0 113.551 -173.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -87.01 112.12 21.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.4 -47.97 0.53 Allowed Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.695 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -81.1 40.17 0.96 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.204 1.936 . . . . 0.0 112.767 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.7 pt -56.17 -29.65 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.17 -41.64 84.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.395 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.34 -25.83 67.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.42 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -78.05 -39.7 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.56 97.82 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.99 -179.46 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.681 HD23 HD13 ' A' ' 109' ' ' LEU . 57.2 tp . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.8 mtm -127.82 138.28 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.428 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 63.5 mtt -128.21 120.33 27.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.246 178.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.84 101.62 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.608 HG23 HD13 ' A' ' 122' ' ' LEU . 17.1 t -95.63 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.628 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.7 m -72.85 103.42 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.534 HG12 HG21 ' A' ' 80' ' ' ILE . 26.2 t -100.05 -43.65 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.542 . . . . 0.0 110.463 -174.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.687 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 37.7 t -91.39 -63.91 1.19 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.274 -175.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' H ' ' HB2' ' A' ' 103' ' ' ASP . . . 87.43 -11.01 67.08 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.433 -171.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.502 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 3.7 p-10 -126.17 151.44 71.97 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.32 -15.23 47.43 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.071 3.181 . . . . 0.0 116.734 -166.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.502 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -68.55 162.13 26.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.505 1.048 . . . . 0.0 112.278 -163.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -87.15 -17.95 31.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.555 -175.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -56.14 -73.12 0.06 Allowed 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.856 0.836 . . . . 0.0 110.989 -173.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.437 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 1.3 pm0 -55.61 -45.21 77.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.995 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -63.85 -42.74 97.49 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.015 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.52 -49.15 74.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.113 0.482 . . . . 0.0 109.784 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -50.52 73.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.675 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.534 HG21 HG12 ' A' ' 68' ' ' VAL . 11.3 tp -72.07 -40.61 67.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.358 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 m -64.15 -40.15 95.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.0 p -68.12 -39.03 82.86 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.44 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.29 -58.48 7.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.744 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -64.52 -34.77 79.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.8 -35.73 71.23 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.102 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.53 -61.29 2.99 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.112 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -57.34 -50.05 74.2 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.64 -38.79 84.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.794 0.33 . . . . 0.0 111.492 -173.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.09 -32.46 39.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.597 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -75.44 -22.09 57.63 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 109.999 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.06 2.99 40.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.461 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.533 ' N ' HD21 ' A' ' 92' ' ' ASN . 0.8 OUTLIER 66.92 44.41 2.03 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.755 173.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -90.46 164.14 14.38 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.69 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 4.5 p30 -92.99 15.97 13.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.672 HG11 HD22 ' A' ' 109' ' ' LEU . 18.0 m -87.18 132.85 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -173.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -113.6 142.34 46.09 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.446 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -117.66 143.53 46.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.487 -177.211 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -142.54 150.3 40.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.185 173.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -111.11 114.24 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.262 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 100' ' ' VAL . 7.5 p -146.07 106.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 176.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.65 87.02 0.61 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 -162.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.0 p -48.06 -32.28 6.51 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.687 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.9 p-10 -67.91 -21.5 65.13 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 120.789 0.328 . . . . 0.0 111.425 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -129.1 122.36 29.76 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 110.742 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 127.5 38.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -97.91 131.67 44.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.441 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -117.25 125.96 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.127 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 56.3 mtm -107.79 112.51 25.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.681 HD13 HD23 ' A' ' 62' ' ' LEU . 18.0 mt -91.53 131.83 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.419 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 37.3 mtp180 -83.17 -25.54 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 0.0 109.762 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -131.58 165.74 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.272 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.05 -3.2 39.12 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.208 -175.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -61.61 -34.77 76.21 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.959 0.379 . . . . 0.0 111.784 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -103.59 11.81 35.73 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.601 0.239 . . . . 0.0 110.605 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.5 -65.29 0.62 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.945 0.402 . . . . 0.0 112.036 -175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -33.46 75.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.09 -50.13 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.326 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.576 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 11.2 tt -67.95 -36.96 77.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.696 ' HG2' HG12 ' A' ' 131' ' ' VAL . 1.2 tmmt? -52.49 -54.73 28.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.087 0.47 . . . . 0.0 110.336 177.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.569 ' HA ' HG23 ' A' ' 123' ' ' VAL . 18.9 m-20 -66.38 -35.33 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.676 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.96 -40.4 84.59 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 110.47 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.608 HD13 HG23 ' A' ' 66' ' ' VAL . 88.0 mt -68.72 -46.94 67.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.781 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.569 HG23 ' HA ' ' A' ' 120' ' ' ASP . 19.0 m -70.74 -24.92 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.6 t -80.64 -3.65 51.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.461 ' HG2' HD11 ' A' ' 80' ' ' ILE . 6.2 tp-100 -60.39 151.75 27.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.557 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.03 -43.28 63.65 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 122.754 0.422 . . . . 0.0 111.59 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 53.1 tpt85 -67.97 -18.7 64.82 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.318 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m 61.52 79.75 0.24 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 110.345 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.92 129.88 37.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.552 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -92.66 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.154 0.502 . . . . 0.0 110.134 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.696 HG12 ' HG2' ' A' ' 119' ' ' LYS . 7.7 p -95.45 139.32 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.365 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.3 m -125.32 130.48 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.195 173.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.428 ' HG ' ' HG2' ' A' ' 64' ' ' MET . 7.2 mp . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.594 -176.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.5 t80 . . . . . 0 C--O 1.23 0.075 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.02 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.337 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.15 -59.53 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.645 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -66.07 -56.03 13.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -69.12 -39.88 78.65 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.926 -172.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.617 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 26.2 mmt -69.17 -36.68 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.231 178.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -57.99 -47.36 83.24 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 175.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 21.0 mtm180 -64.94 -39.04 92.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.995 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.07 -52.11 64.02 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.027 0.441 . . . . 0.0 109.867 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.619 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 10.4 mp -67.97 -28.77 67.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 11.0 tm-20 -54.38 -35.78 63.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -57.59 -48.09 80.33 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.407 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.619 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 74.1 m95 -66.46 -39.35 88.77 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 13.6 mm-40 -58.95 -51.94 67.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.511 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 24' ' ' ILE . 21.1 ptmt -66.72 -40.35 88.37 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.142 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -58.69 -40.52 83.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.096 0.474 . . . . 0.0 109.932 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.68 -39.84 91.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.0 -40.82 96.98 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.738 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 20' ' ' LYS . 78.2 mt -73.01 -57.86 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.636 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -95.04 -20.36 19.4 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -171.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 N--CA 1.469 0.493 0 C-N-CA 122.984 0.514 . . . . 0.0 111.843 179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt . . . . . 0 C--O 1.233 0.232 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -50.23 116.13 6.22 Favored Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.917 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.93 -14.58 23.85 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.496 2.131 . . . . 0.0 111.235 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.8 t -129.18 126.88 40.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -74.98 -47.59 4.71 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.234 -177.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 54.5 Cg_endo -68.19 88.81 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 121.826 1.684 . . . . 0.0 111.986 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 pt -63.03 -18.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.745 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.99 -60.06 3.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.585 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.428 ' HD1' ' HB2' ' A' ' 38' ' ' PRO . 92.3 m-85 -62.41 -35.6 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.814 -177.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.5 t -66.63 -32.07 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.54 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -79.17 -47.69 15.58 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp . . . . . 0 N--CA 1.467 0.42 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.361 -178.292 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.594 ' HE3' ' HG2' ' A' ' 108' ' ' MET . 14.7 ptp -128.03 150.1 50.08 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 174.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.486 ' HE2' ' O ' ' A' ' 115' ' ' ALA . 57.5 mtt -125.6 146.39 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.659 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.11 110.2 21.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 122' ' ' LEU . 32.9 t -99.55 101.81 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.364 -177.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.43 HG22 ' HB2' ' A' ' 130' ' ' GLU . 7.5 t -84.55 109.73 18.17 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.5 0.667 . . . . 0.0 110.004 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.744 HG11 HG23 ' A' ' 80' ' ' ILE . 38.4 t -103.29 -60.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.534 -172.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -78.83 -58.41 3.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.381 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.88 0.14 84.27 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -173.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -126.13 145.76 53.46 Favored Pre-proline 0 C--O 1.234 0.287 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -59.54 -19.88 54.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.361 2.707 . . . . 0.0 114.337 -170.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.488 HG23 ' NZ ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -60.39 108.14 0.77 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.039 0.447 . . . . 0.0 110.335 -178.073 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -63.09 -37.23 86.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.579 -169.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' NZ ' HG23 ' A' ' 73' ' ' THR . 0.0 OUTLIER -58.98 -25.3 63.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -167.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.65 -71.09 0.16 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.574 ' HA ' HG22 ' A' ' 80' ' ' ILE . 87.0 m -65.42 -30.59 71.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 -176.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -59.44 -55.58 32.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.104 0.478 . . . . 0.0 110.508 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.94 -44.66 84.43 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.583 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.744 HG23 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -63.26 -36.87 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.543 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.5 m -67.18 -36.56 82.03 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.207 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 66.3 m -59.19 -44.22 92.2 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.142 0.496 . . . . 0.0 110.288 175.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.96 -49.48 74.56 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.388 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.496 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 m0 -59.01 -55.36 36.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.382 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 82' ' ' SER . 1.2 pp0? -55.54 -40.72 72.23 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.28 97.1 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.692 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.441 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 25.3 t -76.82 -17.15 59.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.255 0.222 . . . . 0.0 111.308 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 97.8 mt -90.95 -41.26 11.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 111.128 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.432 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 35.7 m-85 -75.79 -17.54 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.441 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 11.1 p30 -74.97 -20.75 59.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.09 8.39 44.62 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.488 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.1 t30 51.61 77.4 0.14 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.341 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -109.41 132.99 53.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 172.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 110' ' ' ARG . 23.4 p-10 -89.41 41.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.557 0.694 . . . . 0.0 110.581 -175.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' A' ' 109' ' ' LEU . 27.3 m -87.69 133.47 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.718 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 96' ' ' GLN . 14.0 mm-40 -100.51 110.23 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.265 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.511 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -113.29 128.07 56.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.12 -170.595 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -140.55 159.37 42.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.406 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 102' ' ' SER . 10.0 tt -114.48 110.07 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.217 0.532 . . . . 0.0 110.57 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.406 ' O ' HG21 ' A' ' 100' ' ' VAL . 15.4 m -119.6 105.33 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.287 177.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.45 101.52 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -171.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.447 ' HA ' HD13 ' A' ' 99' ' ' ILE . 47.9 t -41.79 -30.65 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.4 -35.31 62.73 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.96 0.41 . . . . 0.0 111.575 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.485 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -144.5 149.99 36.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.193 0.52 . . . . 0.0 111.656 -173.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.36 136.78 49.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.381 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tt -93.94 113.81 29.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.674 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.42 102.78 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.678 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.594 ' HG2' ' HE3' ' A' ' 63' ' ' MET . 73.3 mtm -87.67 133.96 33.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.555 HD22 HG22 ' A' ' 118' ' ' ILE . 6.5 mp -111.32 120.01 40.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.447 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 55.5 ttp180 -73.93 -38.32 64.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -112.47 111.55 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.153 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.9 22.75 34.44 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 121.168 -0.539 . . . . 0.0 113.02 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.1 t -70.74 -45.93 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.001 0.401 . . . . 0.0 110.153 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -89.35 21.81 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.486 ' O ' ' HE2' ' A' ' 64' ' ' MET . . . -54.2 -45.96 72.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.749 -177.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -67.97 -33.06 73.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -71.43 -47.86 53.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.555 HG22 HD22 ' A' ' 109' ' ' LEU . 11.9 tt -65.1 -39.35 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.446 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.42 -52.95 63.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.73 -38.49 69.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.456 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.79 -50.76 72.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.836 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.509 HD12 HG21 ' A' ' 66' ' ' VAL . 86.4 mt -63.31 -37.19 86.28 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 66.3 t -74.37 -31.12 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.44 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -73.36 -0.36 14.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.294 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -57.05 150.64 16.68 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -58.78 -33.51 70.41 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 110.718 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -84.52 -12.68 53.74 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.0 m 57.0 87.79 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.51 148.96 26.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.836 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.43 ' HB2' HG22 ' A' ' 67' ' ' THR . 40.4 mt-10 -94.76 113.86 25.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.639 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 39.3 t -105.68 117.97 52.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.606 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.8 t -112.89 147.99 35.88 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.477 HD22 ' HG2' ' A' ' 64' ' ' MET . 89.2 mt . . . . . 0 C--O 1.235 0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.971 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.45 ' O ' ' HB3' ' A' ' 11' ' ' MET . 14.3 m120 -55.37 -64.17 0.93 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.477 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.14 -57.3 12.31 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.727 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.43 -66.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 111.766 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -69.01 -43.72 74.22 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.06 -171.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.458 ' O ' HD13 ' A' ' 15' ' ' LEU . 43.0 ttm -74.03 -37.42 64.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -174.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.39 80.39 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.735 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -38.36 85.64 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.2 tp -67.2 -44.7 78.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.082 0.467 . . . . 0.0 110.404 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.502 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 9.7 mp -78.81 -7.54 57.94 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.168 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -48.47 -42.2 31.95 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.922 0.489 . . . . 0.0 110.941 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.11 -45.15 93.36 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.852 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.502 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 92.8 m95 -66.29 -40.04 89.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 -177.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.07 71.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' O ' HG13 ' A' ' 24' ' ' ILE . 23.8 tptp -69.36 -39.8 77.89 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 11.8 m-20 -62.55 -37.84 87.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.62 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.72 -46.06 88.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.491 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.87 -43.9 77.58 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.6 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 20' ' ' LYS . 73.8 mt -62.32 -37.97 80.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.403 178.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 45.0 mt-10 -72.61 -30.08 64.05 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.422 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.667 0.27 . . . . 0.0 110.551 178.212 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -53.24 122.25 29.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.99 0.57 4.88 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.864 2.376 . . . . 0.0 113.04 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -68.9 107.35 3.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.557 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -85.1 -47.98 0.62 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.879 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 23.6 Cg_endo -60.35 124.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 121.75 1.634 . . . . 0.0 111.775 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.413 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.2 tt -78.7 1.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.878 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 5.7 m-20 -45.4 -33.98 2.85 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.051 0.541 . . . . 0.0 112.049 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -54.43 -54.39 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 110.679 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -83.5 -27.45 29.4 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.351 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 23.3 tptm -62.8 -51.77 65.78 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.267 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.648 179.504 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HG ' HD21 ' A' ' 109' ' ' LEU . 42.4 tp . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.211 0.529 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.7 ptp -134.83 137.51 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.911 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.532 ' HE3' HG13 ' A' ' 131' ' ' VAL . 10.7 ptm -139.95 128.45 22.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.682 -173.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.37 115.38 23.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.48 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.44 HG21 HD13 ' A' ' 122' ' ' LEU . 26.3 t -96.7 106.59 18.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.3 t -89.47 110.65 21.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.237 0.542 . . . . 0.0 109.893 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.704 HG11 HG21 ' A' ' 80' ' ' ILE . 48.4 t -101.82 -56.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.738 -176.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.729 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 19.8 m -61.53 -50.58 72.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.565 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.25 -4.1 5.13 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.653 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 65.7 t30 -127.97 142.25 43.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 124.407 1.083 . . . . 0.0 108.393 -173.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.653 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 24.7 Cg_exo -39.06 -17.09 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 124.128 3.219 . . . . 0.0 115.83 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 71' ' ' ASN . 2.2 t -63.72 128.57 36.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.385 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -79.53 -24.36 42.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.627 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 2.6 mptp? -58.62 -48.19 81.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.3 -165.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.554 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.8 mm-40 -58.49 -62.82 1.57 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.158 0.504 . . . . 0.0 110.68 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 m -59.84 -37.6 79.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.832 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.79 -52.83 54.75 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.575 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 8.7 mm-40 -59.87 -48.0 83.47 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.704 HG21 HG11 ' A' ' 68' ' ' VAL . 11.4 tp -66.34 -38.28 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.841 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.7 m -64.93 -34.04 77.46 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.69 0.281 . . . . 0.0 110.293 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.6 t -64.46 -45.03 89.17 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.394 0.616 . . . . 0.0 109.626 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.582 HD11 HD12 ' A' ' 80' ' ' ILE . 78.7 mt -57.21 -38.72 74.13 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.947 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.702 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 28.7 m0 -74.54 -31.51 62.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' OE1' ' HD2' ' A' ' 97' ' ' ARG . 7.9 tp60 -58.03 -35.57 71.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.93 -50.92 4.7 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.452 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.531 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 61.5 m -61.38 -58.28 8.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.09 -35.19 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.739 0.304 . . . . 0.0 111.438 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.568 ' HZ ' HH11 ' A' ' 97' ' ' ARG . 12.5 m-85 -78.12 -34.44 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.531 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 8.0 p30 -70.19 -23.4 62.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.01 4.22 23.66 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.384 173.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 75.03 18.46 2.52 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.667 0.787 . . . . 0.0 112.313 173.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -95.72 92.8 6.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.14 79.31 2.29 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.323 0.582 . . . . 0.0 109.631 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -94.14 143.59 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.983 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 90.1 mm-40 -100.44 100.58 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.287 0.565 . . . . 0.0 109.825 -177.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.568 HH11 ' HZ ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -107.69 131.2 54.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.7 -174.488 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.407 ' O ' HG22 ' A' ' 106' ' ' ILE . 49.6 m-85 -128.4 125.92 39.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.6 tt -80.37 89.59 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.73 0.776 . . . . 0.0 110.361 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.24 117.01 52.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.968 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.97 102.85 0.73 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -167.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -45.65 -29.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -170.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.729 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 5.2 p-10 -85.07 -11.25 55.72 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -145.31 154.9 42.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.303 0.573 . . . . 0.0 112.124 -172.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.09 128.69 48.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.217 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 9.2 tt -85.18 121.35 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.997 0.427 . . . . 0.0 110.543 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.336 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.49 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 44.7 ttm -99.48 123.9 44.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.225 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.458 HD21 ' HG ' ' A' ' 62' ' ' LEU . 2.7 mm? -102.24 151.59 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.584 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -73.12 -43.4 61.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -145.18 175.97 9.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.98 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.98 16.32 15.78 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.714 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 m -63.88 -34.33 77.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.378 0.589 . . . . 0.0 110.805 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -108.86 18.0 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.42 80.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.377 -175.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -29.77 63.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.992 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.28 -53.46 43.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.219 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.4 tt -64.86 -38.67 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.24 -49.39 76.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.817 0.341 . . . . 0.0 110.251 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.497 ' HA ' HG23 ' A' ' 123' ' ' VAL . 15.4 t70 -60.89 -42.27 97.65 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.96 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -56.45 -42.25 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 78.4 mt -72.13 -43.43 64.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.512 -177.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 120' ' ' ASP . 18.6 m -75.39 -26.74 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 -177.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.7 m -81.95 -0.8 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.377 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.702 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 15.7 mm100 -63.68 162.08 13.83 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.77 177.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.32 -34.69 48.14 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.837 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -87.36 -12.85 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.944 -177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 55.8 m 54.28 76.83 0.22 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.139 0.495 . . . . 0.0 110.469 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.18 128.68 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.74 148.21 26.48 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.532 HG13 ' HE3' ' A' ' 64' ' ' MET . 20.5 t -126.57 121.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -176.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.4 p -98.71 113.02 24.92 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.086 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 133' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.878 0 N-CA-C 112.289 -0.324 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -96.94 -21.85 17.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.95 0.405 . . . . 0.0 110.353 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tt -139.86 120.95 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.136 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.8 mmt-85 -67.58 -53.29 29.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -49.38 -52.5 27.99 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.889 0.743 . . . . 0.0 112.227 -169.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -66.06 -47.02 75.69 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.226 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' A' ' 11' ' ' MET . 97.7 m-20 -57.27 -65.75 0.57 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.571 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -50.24 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.076 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -67.57 0.39 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.65 -44.55 81.58 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.405 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.8 ttm -69.5 -34.93 75.01 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.796 -175.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.17 86.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.172 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -60.4 -33.05 71.93 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.436 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.91 -43.21 55.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.504 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 94.0 mt -85.95 -0.83 56.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -177.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -47.78 -46.05 29.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.954 0.502 . . . . 0.0 110.878 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.68 -42.46 97.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.474 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 85.3 m95 -67.78 -42.26 81.93 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.134 0.493 . . . . 0.0 109.874 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.37 -36.97 85.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.275 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.13 -47.21 87.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.787 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.67 -51.43 68.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.411 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -59.42 -34.54 72.6 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.77 -43.56 54.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.796 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.9 pp -78.14 -21.87 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.65 -45.69 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.571 . . . . 0.0 109.628 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 60.78 12.2 3.63 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.31 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.89 23.19 78.21 Favored Glycine 0 C--N 1.331 0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 113.329 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -85.84 118.8 25.55 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 117.12 0.46 . . . . 0.0 110.316 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' N ' HD23 ' A' ' 29' ' ' LEU . 2.8 mm? -80.59 121.19 81.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.601 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 11.4 Cg_endo -89.91 148.63 4.82 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.094 2.529 . . . . 0.0 111.384 175.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -78.32 -3.99 45.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 0.0 110.76 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -85.78 105.65 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.316 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.4 tttp -89.84 169.01 11.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.152 174.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.508 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 8.4 tpp180 -53.65 113.57 5.06 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.502 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 59.5 Cg_endo -70.59 -20.4 30.97 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.408 2.072 . . . . 0.0 112.363 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 m -81.15 108.54 14.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.416 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.601 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -80.31 -48.29 1.27 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.694 175.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.601 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 3.9 Cg_exo -78.58 100.63 1.38 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.151 1.901 . . . . 0.0 111.339 174.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.95 -19.81 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.604 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.565 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 13.0 m-20 -51.04 -26.99 6.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.262 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -57.69 -54.05 51.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.72 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -81.65 -24.53 36.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.214 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 36.2 ttmt -64.85 -55.23 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.291 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.43 -49.14 7.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.014 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.0 t70 58.33 91.06 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.725 -169.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.11 -37.83 4.86 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.026 3.151 . . . . 0.0 114.329 -172.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.42 -31.75 4.72 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.482 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -61.7 113.54 8.6 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.589 ' O ' HG12 ' A' ' 52' ' ' ILE . 98.8 Cg_endo -78.44 70.0 7.43 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.434 2.089 . . . . 0.0 111.819 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.21 -25.72 15.01 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.053 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 m -49.76 -35.2 21.54 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.567 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 49' ' ' PRO . 25.2 pt -67.26 -38.36 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HA ' HG21 ' A' ' 56' ' ' THR . 62.0 tp -68.52 -35.73 77.88 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.191 0.52 . . . . 0.0 109.615 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.743 ' HZ3' ' HB3' ' A' ' 54' ' ' LYS . 3.3 mmmp? -74.28 -26.24 60.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.726 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -89.81 -22.54 22.05 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.69 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.408 HG21 ' HA ' ' A' ' 53' ' ' LEU . 14.5 t -85.15 146.36 27.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.279 0.561 . . . . 0.0 111.507 -177.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.421 ' O ' ' NZ ' ' A' ' 60' ' ' LYS . 23.9 ttmm -150.2 154.65 38.35 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.926 175.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -59.13 146.5 38.55 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.78 48.02 0.34 Allowed Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 121.264 -0.493 . . . . 0.0 111.888 -176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 57' ' ' LYS . 14.0 mptt -79.68 99.23 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.131 0.491 . . . . 0.0 109.743 177.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 t -98.97 24.39 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.745 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -79.56 113.13 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.441 ' HA ' ' HA ' ' A' ' 108' ' ' MET . 1.7 pmm? -114.47 160.51 19.11 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.249 0.547 . . . . 0.0 110.972 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.554 ' SD ' ' NZ ' ' A' ' 119' ' ' LYS . 31.5 mtt -108.16 122.09 46.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.919 172.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' HE2' ' HA ' ' A' ' 134' ' ' GLU . 91.9 m-85 -80.98 101.05 9.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 130' ' ' GLU . 34.5 t -100.44 99.21 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.651 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 27.8 m -78.2 95.14 4.89 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.883 HG11 HG21 ' A' ' 80' ' ' ILE . 25.6 t -85.82 -60.8 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.729 -171.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.0 m -77.91 -70.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.17 -171.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.16 9.42 80.12 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -171.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.414 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 9.1 t30 -126.65 133.25 24.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 123.529 0.731 . . . . 0.0 109.43 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -42.01 -34.56 2.7 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.964 3.109 . . . . 0.0 115.301 -172.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.661 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 72.9 p -65.24 102.11 0.62 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.79 0.329 . . . . 0.0 111.482 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.64 -24.12 63.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.083 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.661 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.9 ptmm? -47.88 -48.41 31.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.445 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 75.9 mm-40 -56.85 -48.84 77.15 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.109 0.48 . . . . 0.0 110.622 -175.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.7 m -63.93 -43.71 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.821 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.42 -46.94 86.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.76 0.314 . . . . 0.0 110.362 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt-10 -56.9 -57.51 12.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.35 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.883 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -64.21 -37.52 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.218 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -69.13 -35.53 76.49 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.504 0.193 . . . . 0.0 111.045 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.7 p -73.27 -31.63 64.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 94.0 mt -63.78 -45.21 90.77 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -61.16 -45.42 94.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.245 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.64 -34.4 64.9 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.12 -65.4 2.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.78 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.7 m -52.43 -46.94 66.61 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.92 -54.04 50.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.963 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.45 -30.49 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.728 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.451 ' N ' HD21 ' A' ' 90' ' ' ASN . 0.8 OUTLIER -71.27 -27.15 63.24 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.27 13.8 16.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.872 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.8 m120 69.31 17.56 8.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.806 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -95.54 89.44 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.413 ' HB3' ' NH2' ' A' ' 110' ' ' ARG . 28.7 t70 -84.04 103.02 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.07 168.92 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.124 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.474 ' HA ' ' NH1' ' A' ' 97' ' ' ARG . 15.9 mm100 -100.56 133.79 44.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.474 ' NH1' ' HA ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -141.15 124.28 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -175.43 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -135.22 149.06 49.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.018 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 tt -108.03 90.4 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.48 0.657 . . . . 0.0 110.543 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.7 m -116.57 108.82 26.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 105.07 2.71 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -167.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.6 m -40.47 -30.24 0.11 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -100.93 -22.66 14.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.767 0.318 . . . . 0.0 111.709 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.2 mmm-85 -97.38 112.4 24.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -170.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.14 116.07 31.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.407 ' O ' HG13 ' A' ' 106' ' ' ILE . 45.2 pt -96.4 121.16 46.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 111.31 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -102.82 102.3 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.339 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.469 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.4 ttm -87.58 120.37 28.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.829 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.509 HD13 ' HE2' ' A' ' 64' ' ' MET . 78.3 mt -98.19 128.42 44.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.198 -176.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.413 ' NH2' ' HB3' ' A' ' 94' ' ' ASP . 37.5 ptt180 -86.84 -7.28 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 171.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -115.23 -169.61 1.6 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.292 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.17 -35.12 0.02 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.366 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.4 m -51.85 -45.21 63.94 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -99.99 26.66 6.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.42 68.29 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 111.496 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -74.32 -21.8 59.54 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.21 -52.0 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 tt -65.68 -38.82 83.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.554 ' NZ ' ' SD ' ' A' ' 64' ' ' MET . 24.5 ttmm -57.26 -41.73 80.21 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.159 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.3 -49.53 77.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.721 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.84 -37.03 63.19 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.085 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 86.0 mt -69.75 -54.35 14.12 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.918 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.1 m -75.98 -5.88 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.653 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.6 t -63.33 -13.01 34.34 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.657 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.604 HE22 HD13 ' A' ' 80' ' ' ILE . 80.4 mt-30 -79.74 153.88 28.94 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.709 0.29 . . . . 0.0 111.062 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -42.66 64.13 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.993 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -67.07 -25.09 66.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 42.7 t 71.0 -60.68 0.5 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 111.198 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.6 161.82 0.24 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.099 0.56 . . . . 0.0 111.611 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.651 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 16.0 tt0 -85.66 113.62 22.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.943 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.524 HG22 HG12 ' A' ' 66' ' ' VAL . 49.1 t -117.18 97.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.0 p -107.61 160.15 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' ' 137' ' ' MET . 77.6 mt -101.62 146.7 27.35 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.411 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 1.5 tm-20 -58.55 117.89 5.02 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.59 -101.12 2.76 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.243 -0.504 . . . . 0.0 111.989 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -123.56 155.2 38.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.753 0.311 . . . . 0.0 110.593 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.796 ' HA ' HD11 ' A' ' 133' ' ' LEU . 27.5 ttt -100.49 99.74 10.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.222 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 8.9 p90 -123.4 117.12 28.02 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.475 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 138' ' ' TYR . 13.6 Cg_exo -70.66 -27.96 21.55 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.736 2.291 . . . . 0.0 111.693 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 150.77 -55.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 20.7 pttp . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.571 -0.728 . . . . 0.0 109.89 177.35 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.874 0 CA-C-O 120.214 -0.214 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -125.29 -95.05 0.47 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 117.078 0.439 . . . . 0.0 111.835 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mm -77.49 -75.55 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -168.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -60.67 -32.83 72.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.797 -176.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.88 -49.72 76.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.104 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.441 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 10.5 t80 -54.94 -48.89 72.56 Favored 'General case' 0 C--N 1.335 -0.048 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.24 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -55.68 -70.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.624 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -62.05 -57.16 12.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.247 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -47.43 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 34.3 t70 -76.66 -47.82 20.93 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.758 -174.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.628 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 28.9 mmt -60.86 -32.64 72.06 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.91 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -63.71 -58.78 5.83 Favored 'General case' 0 C--O 1.226 -0.173 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 172.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -53.11 -27.54 21.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.78 -37.09 16.89 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.608 0.242 . . . . 0.0 111.136 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 18' ' ' TRP . 8.1 mp -110.52 25.95 11.21 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.954 0.354 . . . . 0.0 111.954 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ALA . 53.4 mt-10 -49.59 -22.83 1.4 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -52.38 -59.14 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.097 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.454 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 34.8 p-90 -68.83 -36.42 78.17 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.365 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.25 -62.37 1.89 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.303 0.573 . . . . 0.0 110.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 24' ' ' ILE . 38.4 ttmt -58.9 -47.65 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.302 -178.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.42 -39.04 82.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.24 -47.94 80.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.122 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.77 -37.49 84.5 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 20' ' ' LYS . 77.3 mt -64.92 -32.69 59.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -82.68 -26.18 32.31 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.987 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 34.6 tt0 -68.59 167.48 14.96 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.987 0.423 . . . . 0.0 111.104 -177.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.427 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 92.12 54.75 1.82 Allowed Glycine 0 C--N 1.333 0.379 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.616 178.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -148.13 168.0 23.57 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.423 ' O ' HD11 ' A' ' 29' ' ' LEU . 3.7 pp -118.3 145.93 38.29 Favored Pre-proline 0 C--O 1.236 0.364 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.603 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -82.99 -159.43 0.1 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.955 2.437 . . . . 0.0 112.443 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.28 1.02 52.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.281 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -104.9 119.12 38.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.236 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -84.56 -178.31 6.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.358 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -49.34 106.09 0.59 Allowed Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -87.61 0.36 7.22 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.918 2.412 . . . . 0.0 113.17 -173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -70.9 109.01 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.507 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.573 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -66.66 -49.29 51.05 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 176.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 5.1 Cg_exo -74.84 107.06 2.39 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.1 1.867 . . . . 0.0 111.103 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.4 pt -70.41 -6.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.614 ' HA ' HD12 ' A' ' 44' ' ' LEU . 5.4 m-20 -48.96 -44.88 41.19 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.402 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -61.81 -51.08 69.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 m -76.86 -22.72 53.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.357 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -95.23 -43.31 8.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -177.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 40' ' ' ASP . 6.9 mp -92.0 -35.06 14.18 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 56.81 90.38 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.546 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.24 -66.44 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.72 2.28 . . . . 0.0 112.982 -175.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.9 11.99 55.99 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.722 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -67.38 144.03 97.7 Favored Pre-proline 0 C--O 1.236 0.354 0 C-N-CA 122.795 0.438 . . . . 0.0 111.334 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.6 106.14 2.15 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.435 2.09 . . . . 0.0 110.818 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -80.97 19.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.295 0.569 . . . . 0.0 111.115 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.2 t -56.15 -31.34 63.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.39 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -33.91 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.8 tp -70.56 -33.68 71.37 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.72 -42.96 99.65 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 72.4 mtm -73.24 -20.46 60.85 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.072 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -68.76 99.06 0.97 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 110.328 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -146.57 109.51 4.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.5 113.58 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.893 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.62 41.85 83.08 Favored Glycine 0 C--N 1.334 0.441 0 O-C-N 123.64 0.588 . . . . 0.0 113.582 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -149.45 110.79 4.43 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.2 m -122.82 -31.28 3.7 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.805 0.336 . . . . 0.0 111.833 -175.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 tt -104.54 122.65 46.02 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -174.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.4 mtm -126.37 129.2 48.33 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 120.955 0.407 . . . . 0.0 110.68 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.484 ' HG2' HD21 ' A' ' 133' ' ' LEU . 61.5 mtt -111.3 127.21 55.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.438 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.68 108.62 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.554 HG23 HD13 ' A' ' 122' ' ' LEU . 46.7 t -107.56 105.36 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.728 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 24.5 m -71.53 113.16 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 173.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.85 HG12 HG22 ' A' ' 80' ' ' ILE . 58.5 t -101.28 -60.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 111.096 -173.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -84.79 -46.1 11.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.032 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.21 -4.21 41.82 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.789 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.604 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.8 p-10 -127.25 161.54 53.66 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 33.3 Cg_endo -61.91 -17.06 53.49 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.382 2.721 . . . . 0.0 115.36 -170.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.2 m -63.08 90.65 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.508 0.671 . . . . 0.0 111.268 -173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' CD ' ' HZ1' ' A' ' 75' ' ' LYS . 0.8 OUTLIER -54.1 -25.01 19.73 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.063 -179.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 11.8 mptt -58.43 -54.59 45.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.012 -171.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.2 -40.88 97.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.781 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.2 m -65.24 -42.44 93.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.843 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.06 -45.35 85.71 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.131 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -57.67 -53.8 54.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.009 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.85 HG22 HG12 ' A' ' 68' ' ' VAL . 10.9 tp -62.62 -36.63 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.666 -176.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -63.79 -38.87 92.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 110.369 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.3 m -62.79 -41.96 99.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 HD13 HD13 ' A' ' 80' ' ' ILE . 75.0 mt -61.98 -43.76 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 178.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.513 ' NE1' ' NE2' ' A' ' 125' ' ' GLN . 13.6 m0 -60.88 -60.09 4.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.4 -27.78 64.6 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.41 63.74 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.765 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.453 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 20.4 m -81.81 -19.2 41.66 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.79 -48.52 10.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.139 0.495 . . . . 0.0 110.462 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.51 -26.43 62.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 35.7 p30 -71.51 -21.08 61.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.263 0.554 . . . . 0.0 110.082 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.01 6.93 47.73 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.947 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.0 m120 63.02 25.09 14.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.119 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -76.58 92.06 3.44 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.0 95.05 5.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.847 -174.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.46 ' HA ' ' HG3' ' A' ' 110' ' ' ARG . 27.4 m -133.74 162.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.708 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.691 ' HA ' HE21 ' A' ' 96' ' ' GLN . 0.0 OUTLIER -108.03 153.15 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -145.21 143.58 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.542 -174.102 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -141.51 148.73 39.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.6 tt -109.86 90.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.559 0.695 . . . . 0.0 109.566 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.0 m -118.38 110.46 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.439 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.32 101.03 1.67 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -169.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.5 m -53.45 -21.58 6.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -171.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.81 -26.12 61.39 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.939 0.4 . . . . 0.0 111.535 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 104' ' ' ARG . 11.2 ptp180 -139.23 175.6 9.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.44 0.638 . . . . 0.0 112.233 -168.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.14 142.83 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.785 172.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -111.09 133.01 58.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -115.44 118.67 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.379 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.461 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.1 mtt -94.7 97.45 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.5 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.409 ' N ' HD13 ' A' ' 109' ' ' LEU . 6.8 mp -71.67 129.37 38.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.653 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.46 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 88.3 mtt-85 -82.85 -6.64 59.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.203 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -149.74 177.24 9.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.372 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.47 22.16 4.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.018 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.7 m -81.12 -55.68 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.155 -175.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -100.51 21.58 13.05 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.312 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.36 -41.95 66.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.921 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -69.73 -31.07 68.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 0.0 110.227 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.61 -46.18 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.097 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.3 tt -65.23 -35.23 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 177.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -59.55 -50.31 74.4 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.491 ' HA ' HG23 ' A' ' 123' ' ' VAL . 36.3 t70 -60.02 -36.64 77.67 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.375 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -61.02 -43.08 99.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.554 HD13 HG23 ' A' ' 66' ' ' VAL . 93.9 mt -62.57 -51.17 68.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 120' ' ' ASP . 17.0 m -74.35 -17.16 16.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.619 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.84 -31.12 70.56 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.021 0.438 . . . . 0.0 110.003 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.513 ' NE2' ' NE1' ' A' ' 84' ' ' TRP . 24.9 mt-30 -86.98 135.03 33.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.031 177.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.67 -18.63 65.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.242 -171.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -76.9 -4.33 43.28 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.4 t -77.96 100.96 6.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.68 14.13 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.728 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 33.8 tt0 -151.2 119.32 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 -175.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.487 HG21 HG22 ' A' ' 66' ' ' VAL . 7.3 p -111.19 125.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 0.0 110.264 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.8 p -140.8 157.27 45.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.898 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.484 HD21 ' HG2' ' A' ' 64' ' ' MET . 53.5 mt -93.54 172.04 8.52 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -64.55 87.48 0.05 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 166.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 99.92 -162.52 19.32 Favored Glycine 0 C--N 1.331 0.302 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -173.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -84.76 179.65 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.127 0.463 . . . . 0.0 110.349 177.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.545 ' SD ' ' HD2' ' A' ' 139' ' ' PRO . 14.5 tpt -59.89 91.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.451 ' N ' ' CD ' ' A' ' 139' ' ' PRO . 6.1 p90 -74.07 -32.84 1.57 Allowed Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.545 ' HD2' ' SD ' ' A' ' 137' ' ' MET . 6.2 Cg_exo -80.3 174.27 11.53 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.941 1.761 . . . . 0.0 111.517 174.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 134.9 -116.7 1.62 Allowed Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.07 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.64 ' HZ3' ' HB3' ' A' ' 141' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.089 -0.405 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.2 t70 67.93 -74.42 0.07 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.137 0.575 . . . . 0.0 111.337 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.9 pt -121.81 -17.07 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.95 0.405 . . . . 0.0 110.555 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -61.84 -31.02 71.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.435 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -51.7 -51.44 56.0 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 123.131 0.269 . . . . 0.0 111.099 -174.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.494 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 4.8 p90 -73.7 -37.28 65.22 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.61 ' O ' ' HB3' ' A' ' 11' ' ' MET . 28.6 m-80 -56.01 -73.17 0.06 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.17 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -65.26 -65.57 0.66 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.857 0.361 . . . . 0.0 111.897 -173.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 33.4 t70 -69.91 -37.94 76.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.63 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.61 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 47.6 ttm -74.82 -37.01 62.43 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.937 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.36 82.57 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.136 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 62.2 mtm180 -63.13 -50.08 71.88 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.186 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.99 -51.86 64.89 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.14 -28.93 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.38 -42.64 96.05 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 16.5 mm100 -63.37 -51.21 66.85 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.03 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -60.06 -41.67 92.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.81 -43.74 95.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.917 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.644 ' O ' HG12 ' A' ' 24' ' ' ILE . 24.9 ttpp -54.54 -55.12 32.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.82 -46.05 83.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.88 -30.64 66.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.746 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.3 -38.19 24.69 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 20' ' ' LYS . 37.2 pt -89.3 -7.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.636 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -102.43 -41.42 6.31 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.461 0.172 . . . . 0.0 110.699 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 38.4 tt0 -136.69 167.23 21.82 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.688 0.28 . . . . 0.0 110.267 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 89.91 8.5 67.09 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -100.68 163.81 12.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.65 0.38 . . . . 0.0 110.18 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.459 ' N ' HD21 ' A' ' 29' ' ' LEU . 2.3 mm? -92.45 132.59 31.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -63.15 155.96 58.15 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.427 2.085 . . . . 0.0 112.446 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -63.39 -18.46 63.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 109.992 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -81.38 105.35 12.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.556 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -83.67 106.29 15.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.139 178.427 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -79.89 111.72 23.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.488 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 61.9 Cg_endo -87.99 1.78 6.63 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.202 2.601 . . . . 0.0 111.929 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -69.17 113.65 6.72 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.876 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -72.11 -34.78 3.04 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.563 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 17.1 Cg_exo -70.03 51.87 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.466 2.111 . . . . 0.0 113.035 175.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.6 -25.64 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 110.76 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.21 -40.46 64.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.675 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 45' ' ' ASP . 83.3 m-85 -67.45 -29.18 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -76.98 -33.74 57.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -78.49 -48.23 15.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.96 -39.97 33.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.413 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 36.7 t70 56.47 78.8 0.36 Allowed Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.069 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.42 151.33 80.32 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.574 2.183 . . . . 0.0 111.662 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.34 -32.48 3.08 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 143.63 83.85 Favored Pre-proline 0 C--N 1.331 -0.225 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 173.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.97 125.12 5.82 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.207 1.938 . . . . 0.0 112.587 -177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -74.65 5.54 4.76 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.582 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.6 p -55.31 -30.89 61.07 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.379 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.554 HD13 ' N ' ' A' ' 53' ' ' LEU . 2.6 pp -64.21 -40.62 89.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.558 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' N ' HD13 ' A' ' 52' ' ' ILE . 91.3 mt -66.07 -32.76 74.41 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.156 0.503 . . . . 0.0 109.916 176.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -68.21 -44.85 74.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.894 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.433 ' HG3' ' HA ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -86.99 -20.38 27.33 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -171.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.8 p -68.13 149.75 49.21 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.306 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -98.16 125.26 43.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -103.72 142.06 35.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.661 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.93 53.47 1.63 Allowed Glycine 0 CA--C 1.507 -0.458 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.514 ' HD3' HD23 ' A' ' 62' ' ' LEU . 64.0 mttm -80.44 160.9 25.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.681 0.753 . . . . 0.0 111.909 -174.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.408 ' O ' ' SD ' ' A' ' 63' ' ' MET . 7.3 m -121.91 26.29 8.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.183 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.514 HD23 ' HD3' ' A' ' 60' ' ' LYS . 4.5 pp -79.55 142.74 35.45 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.429 -178.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.438 ' HG2' HD11 ' A' ' 106' ' ' ILE . 2.4 mpp? -122.58 151.66 41.2 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.325 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.565 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 59.2 mtt -114.6 121.52 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.92 171.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.45 ' HE1' ' HB2' ' A' ' 134' ' ' GLU . 78.5 m-85 -91.1 128.35 36.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.109 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 HG12 HG23 ' A' ' 131' ' ' VAL . 51.7 t -127.34 101.8 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.783 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.432 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 26.1 m -74.49 113.87 12.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.758 HG12 HG23 ' A' ' 80' ' ' ILE . 62.6 t -101.1 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.124 -173.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.444 ' OG ' ' HB2' ' A' ' 76' ' ' GLU . 18.1 m -78.51 -45.29 22.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -175.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.401 ' N ' ' HB2' ' A' ' 103' ' ' ASP . . . 76.47 -10.06 18.67 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.896 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.587 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.0 p-10 -125.65 162.23 46.1 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 18.3 Cg_endo -57.3 -18.73 31.78 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.168 2.579 . . . . 0.0 114.89 -169.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -62.14 99.88 0.15 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.65 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.514 ' HB2' ' OG ' ' A' ' 102' ' ' SER . 43.4 tt0 -67.67 -21.19 65.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.479 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -62.75 -44.22 96.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.797 -173.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.4 mm-40 -60.44 -51.43 69.53 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.85 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -59.5 -39.84 85.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.732 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -46.53 87.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.626 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 58.0 mm-40 -60.2 -52.3 65.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.293 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.758 HG23 HG12 ' A' ' 68' ' ' VAL . 11.1 tp -63.09 -36.58 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.743 -176.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -66.49 -43.26 85.83 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.458 ' HA ' ' HG2' ' A' ' 85' ' ' GLN . 5.5 p -64.67 -42.86 95.07 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.836 0.351 . . . . 0.0 110.504 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.9 mt -57.22 -44.2 83.51 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.286 176.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -66.64 -52.14 48.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.698 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 82' ' ' SER . 28.4 pt20 -59.75 -26.59 65.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.336 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.25 -61.68 3.59 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.018 172.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.3 m -57.35 -48.67 78.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.648 0.379 . . . . 0.0 111.911 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.85 -43.67 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -72.25 -20.95 61.46 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.442 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -26.93 67.18 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 170.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.48 10.01 36.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.557 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.3 t30 65.88 24.36 11.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.521 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -75.01 92.74 2.63 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.11 -0.369 . . . . 0.0 110.077 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.84 88.71 2.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.099 0.476 . . . . 0.0 109.936 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.9 t -129.94 150.94 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -100.39 139.79 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.613 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -130.22 121.76 26.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.257 -173.139 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -125.36 159.59 31.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 14.8 tt -119.71 89.35 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.796 0.808 . . . . 0.0 110.951 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.6 m -108.0 114.52 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.935 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.1 102.73 2.48 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -169.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.514 ' OG ' ' HB2' ' A' ' 74' ' ' GLU . 7.5 t -49.73 -22.6 1.44 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.401 ' HB2' ' N ' ' A' ' 70' ' ' GLY . 14.8 p-10 -101.26 0.88 38.17 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -146.93 162.68 38.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.119 0.485 . . . . 0.0 111.834 -171.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.3 160.4 29.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.634 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' A' ' 63' ' ' MET . 10.5 tt -132.79 121.05 43.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.001 0.429 . . . . 0.0 110.729 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.52 113.72 27.4 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 52.5 ttp -96.13 115.67 27.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.465 HD23 HG22 ' A' ' 118' ' ' ILE . 6.3 mp -92.01 139.42 30.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.295 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -78.08 -37.52 46.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.1 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.74 146.6 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.211 175.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.89 31.97 6.48 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.606 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -63.63 -55.21 25.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.949 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -102.3 28.36 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.02 75.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.613 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -73.31 -33.97 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.62 -53.04 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.518 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.465 HG22 HD23 ' A' ' 109' ' ' LEU . 11.3 tt -61.52 -38.23 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.86 -45.85 91.16 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.403 ' HA ' HG23 ' A' ' 123' ' ' VAL . 25.6 t70 -61.77 -40.75 96.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.33 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.77 -47.79 83.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.238 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 95.8 mt -61.62 -42.88 99.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.397 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.403 HG23 ' HA ' ' A' ' 120' ' ' ASP . 25.1 m -76.21 -24.71 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.463 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 t -70.54 -26.27 63.48 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.778 0.323 . . . . 0.0 110.397 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.539 ' HB2' ' SG ' ' A' ' 128' ' ' CYS . 14.1 mm100 -59.93 130.31 46.13 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.244 0.545 . . . . 0.0 111.084 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.0 -26.78 62.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.972 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -85.29 -3.48 58.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.364 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 125' ' ' GLN . 77.9 m -85.59 118.66 25.24 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.01 -51.59 6.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.579 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.432 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 40.4 mt-10 -130.74 131.04 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.21 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.453 HG23 HG12 ' A' ' 66' ' ' VAL . 61.3 t -131.82 115.75 28.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.3 m -149.11 129.44 13.77 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.891 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.565 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.3 pp -86.64 151.1 23.72 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.466 176.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.45 ' HB2' ' HE1' ' A' ' 65' ' ' PHE . 41.8 tt0 -73.92 97.24 2.76 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.677 0.275 . . . . 0.0 110.663 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.568 ' HA3' ' HE1' ' A' ' 138' ' ' TYR . . . 142.72 153.92 6.01 Favored Glycine 0 N--CA 1.453 -0.18 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.921 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.34 65.77 8.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.883 0.341 . . . . 0.0 110.712 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 92.6 mmm 51.14 90.52 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.83 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.568 ' HE1' ' HA3' ' A' ' 135' ' ' GLY . 28.3 p90 -129.53 110.26 17.6 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.721 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -76.84 -23.2 11.07 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.078 2.519 . . . . 0.0 112.373 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.91 130.45 45.12 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.891 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.9 -0.571 . . . . 0.0 110.387 -178.232 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -151.86 -89.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -129.39 -29.85 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -53.63 -29.38 37.86 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.214 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.26 -49.92 72.83 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.372 0.606 . . . . 0.0 109.737 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -67.84 -42.35 81.53 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.251 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 11' ' ' MET . 14.1 m120 -56.27 -59.21 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 15.5 t70 -52.44 -63.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.908 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.602 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -52.59 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.002 0.43 . . . . 0.0 110.987 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.42 -60.71 3.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.401 -173.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.52 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.8 ttm -69.18 -43.1 74.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -170.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.63 -41.67 68.55 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.504 -177.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.0 mmt180 -75.22 -11.52 60.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.18 -53.12 8.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.432 166.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.1 pt? -138.26 66.54 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.602 0.715 . . . . 0.0 111.276 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ALA . 31.0 tt0 -58.13 -10.27 1.83 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.719 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -39.42 -47.59 1.82 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -69.94 -40.22 75.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.498 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.77 -49.63 75.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' O ' HG13 ' A' ' 24' ' ' ILE . 88.5 tttt -60.97 -49.2 78.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.808 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.2 -54.06 50.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.009 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.68 -31.88 72.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.31 -42.51 83.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.517 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 20' ' ' LYS . 80.2 mt -65.48 -48.0 84.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -59.57 -37.2 77.83 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.136 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 68.76 6.24 5.42 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.117 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.84 90.23 0.01 OUTLIER Glycine 0 CA--C 1.521 0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 113.583 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -78.25 92.71 4.52 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 31' ' ' GLU . 66.8 mt -66.77 151.43 96.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.91 -175.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 9.3 Cg_exo -73.28 33.16 0.32 Allowed 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.034 2.489 . . . . 0.0 111.915 174.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 29' ' ' LEU . 44.9 tt0 -76.72 -8.84 58.05 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.746 -177.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -68.58 112.95 5.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 1.7 tpmt? -68.91 118.62 12.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -172.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 5.8 ppt_? -70.49 144.95 92.26 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.473 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 4.5 Cg_exo -81.4 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.489 2.126 . . . . 0.0 111.734 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -87.43 133.25 33.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.517 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -79.31 -49.05 1.47 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.215 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 2.8 Cg_exo -76.13 86.6 1.51 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.319 2.013 . . . . 0.0 112.065 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.4 pt -99.33 3.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.39 -54.01 30.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.481 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -59.53 -40.97 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -69.11 -33.35 73.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -76.7 -40.83 47.52 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.995 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.91 -27.71 39.88 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.404 ' CG ' ' HZ3' ' A' ' 48' ' ' LYS . 38.1 t70 54.29 91.57 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.397 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.799 173.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -86.83 -173.72 1.22 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.764 2.309 . . . . 0.0 111.604 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.84 -30.86 8.26 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.952 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HZ3' ' CG ' ' A' ' 45' ' ' ASP . 12.5 mptt -83.6 149.63 57.83 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.99 -5.13 4.37 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.102 2.535 . . . . 0.0 113.365 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -0.02 37.2 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.549 0.214 . . . . 0.0 111.409 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.442 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 70.3 m -53.13 -28.79 27.53 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.338 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 53' ' ' LEU . 27.0 pt -63.45 -47.12 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.575 174.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' N ' HG13 ' A' ' 52' ' ' ILE . 3.5 tm? -63.76 -35.76 81.65 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' A' ' 51' ' ' SER . 14.8 ttmm -65.45 -44.74 86.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.963 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -84.65 -20.43 31.33 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.792 -174.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.8 m -66.74 105.1 1.47 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.957 0.408 . . . . 0.0 110.488 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.682 ' HB2' ' HZ3' ' A' ' 57' ' ' LYS . 8.5 mtmp? -121.94 155.8 34.72 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.083 -176.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 59' ' ' GLY . 3.8 tmmm? -78.38 140.17 38.74 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 58' ' ' LYS . . . 120.65 72.59 0.33 Allowed Glycine 0 N--CA 1.453 -0.205 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HD2' ' HB3' ' A' ' 108' ' ' MET . 65.0 mttm -77.95 146.87 35.24 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -174.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.9 p -83.52 -30.41 27.14 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -168.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -142.18 128.27 19.68 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 63' ' ' MET . 2.5 mpp? -126.81 113.0 16.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.438 ' HE2' ' HG ' ' A' ' 133' ' ' LEU . 18.2 ptp -107.76 125.06 50.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 0.0 111.121 -176.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -89.69 117.04 28.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.985 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.468 HG22 HD12 ' A' ' 122' ' ' LEU . 21.9 t -98.26 111.52 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.519 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 m -78.25 100.21 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.66 HG13 HG22 ' A' ' 80' ' ' ILE . 21.5 t -102.15 -61.38 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -171.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.547 ' HB2' ' OD1' ' A' ' 71' ' ' ASN . 81.1 p -83.29 -66.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.782 -167.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.449 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 90.04 10.11 64.88 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -174.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.547 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 2.9 p-10 -126.61 145.21 52.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -67.1 -28.44 41.03 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.111 2.541 . . . . 0.0 112.88 -174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.434 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 10.5 p -63.43 117.5 6.78 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.1 0.476 . . . . 0.0 110.835 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.62 -33.27 75.55 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.826 -173.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.1 ptmm? -37.8 -48.41 1.1 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.823 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.57 -56.66 14.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.93 0.395 . . . . 0.0 111.082 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.495 ' HA ' HG21 ' A' ' 80' ' ' ILE . 15.0 t -65.31 -30.87 71.77 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.386 -177.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.97 -52.24 66.25 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -59.98 -58.63 7.72 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.992 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.66 HG22 HG13 ' A' ' 68' ' ' VAL . 8.9 tp -60.06 -43.87 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.49 -173.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 m -67.63 -30.9 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.525 0.203 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.1 t -64.73 -44.44 90.16 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.61 -48.65 80.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.452 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 25.8 m0 -60.32 -41.54 93.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.486 177.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -51.96 62.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.912 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.65 76.28 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.05 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.6 t -59.11 -47.19 86.17 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.721 0.296 . . . . 0.0 111.2 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 85.1 mt -66.81 -40.23 87.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.809 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.49 -25.8 64.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.567 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.23 -35.88 68.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.65 -3.69 42.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.593 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 67.1 27.03 8.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.366 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -70.3 128.14 35.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.321 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.5 73.68 4.07 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.604 0.716 . . . . 0.0 109.281 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.577 HG11 ' HG ' ' A' ' 109' ' ' LEU . 35.4 m -125.84 157.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.757 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.533 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 25.2 mm-40 -125.26 145.58 49.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 177.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.682 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -121.69 129.27 52.63 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.523 ' HB2' HG22 ' A' ' 106' ' ' ILE . 97.2 m-85 -137.76 146.62 43.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 0.0 110.239 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -110.84 124.59 67.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.438 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.7 p -151.26 101.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.62 101.22 0.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -170.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.462 ' HA ' HG21 ' A' ' 77' ' ' THR . 45.1 t -47.64 -31.54 4.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -170.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.449 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 3.5 m-20 -52.08 -37.17 53.01 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.934 0.397 . . . . 0.0 111.453 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -139.34 138.67 36.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.585 -173.706 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.07 140.8 39.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.523 HG22 ' HB2' ' A' ' 98' ' ' PHE . 6.8 tt -100.6 125.5 54.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 110.876 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -107.85 113.32 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.578 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.533 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 62.2 mtt -93.45 135.45 34.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.336 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.577 ' HG ' HG11 ' A' ' 95' ' ' VAL . 6.0 mp -127.16 122.53 34.39 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -76.85 -30.35 56.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.364 0.602 . . . . 0.0 109.541 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.64 138.08 54.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.23 -0.896 . . . . 0.0 108.892 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.16 21.8 8.68 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.808 -172.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.0 p -66.73 -36.69 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.631 0.716 . . . . 0.0 110.019 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -98.26 19.45 14.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.927 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.91 66.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 111.349 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -77.51 -30.76 53.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.581 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.74 -46.93 62.11 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.57 HG23 HD23 ' A' ' 109' ' ' LEU . 11.7 tt -67.81 -41.53 85.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.326 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.75 -43.15 94.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.993 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.545 ' HA ' HG22 ' A' ' 123' ' ' VAL . 31.4 t70 -58.94 -47.32 85.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.025 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -54.22 -42.89 70.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.66 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.468 HD12 HG22 ' A' ' 66' ' ' VAL . 89.4 mt -69.23 -43.27 74.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.284 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 120' ' ' ASP . 24.5 m -79.44 -8.79 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 m -74.82 -4.72 39.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.41 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.462 ' NE2' HD12 ' A' ' 80' ' ' ILE . 6.4 tp-100 -59.73 117.64 5.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 110.077 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.68 -22.14 47.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.311 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -76.24 -47.66 23.11 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.935 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.461 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 16.5 p 166.68 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.427 0.691 . . . . 0.0 109.685 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -173.15 156.94 3.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 111.475 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -160.37 132.43 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 172.371 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.446 HG21 HG21 ' A' ' 66' ' ' VAL . 50.0 t -118.69 106.9 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 -173.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.7 m -99.64 126.24 45.61 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.438 ' HG ' ' HE2' ' A' ' 64' ' ' MET . 6.8 mp -96.8 129.56 44.21 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.021 0.438 . . . . 0.0 112.057 -174.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.2 143.09 49.79 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 170.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.16 -167.82 30.12 Favored Glycine 0 N--CA 1.454 -0.107 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.95 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -74.48 -22.78 58.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.013 0.435 . . . . 0.0 110.568 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 55.2 ttp -110.73 101.92 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.506 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -138.83 92.0 11.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.458 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -68.53 -25.34 35.1 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.991 2.46 . . . . 0.0 111.927 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 82.62 -72.52 2.81 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.937 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.747 ' HB3' ' HZ2' ' A' ' 141' ' ' LYS . 6.1 ttpm? . . . . . 0 C--O 1.247 0.927 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.15 135.41 35.78 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.656 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -122.34 5.09 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.123 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' NH1' ' HB2' ' A' ' 8' ' ' ASP . 2.3 tmt_? -64.62 -37.22 86.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.586 -176.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.02 -49.24 78.23 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.519 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -60.16 -47.12 87.27 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.986 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.541 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.2 m-20 -55.34 -50.23 70.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.826 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.483 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 21.6 t70 -50.22 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.622 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -55.17 38.5 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.743 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.26 -55.19 9.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.619 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.696 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 15.1 mmt -62.8 -37.38 86.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.386 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -60.88 -64.37 0.98 Allowed 'General case' 0 CA--C 1.526 0.039 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.174 176.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 26.1 mmt180 -66.21 -14.35 61.77 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -173.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' HB3' HD23 ' A' ' 15' ' ' LEU . 56.4 tp -85.35 -53.18 5.38 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.123 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD23 ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -127.62 38.1 4.1 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.091 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 11.8 pt-20 -58.98 -4.43 0.47 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -46.79 -54.47 9.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.945 0.498 . . . . 0.0 111.205 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -69.86 -32.67 71.17 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.94 -60.97 2.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.607 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' ILE . 14.8 ptmm? -63.26 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.32 -51.87 65.93 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.285 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -34.44 77.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.827 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -23.37 61.85 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 20' ' ' LYS . 83.1 mt -82.82 -35.52 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.031 0.443 . . . . 0.0 110.36 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.86 -39.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.987 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.72 177.52 10.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.16 87.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.419 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.57 89.82 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.925 0.393 . . . . 0.0 110.662 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -110.62 99.46 41.51 Favored Pre-proline 0 C--O 1.235 0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.93 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -89.55 148.25 5.13 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.894 2.396 . . . . 0.0 112.036 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -88.94 -19.41 25.79 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.221 0.534 . . . . 0.0 109.809 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -91.14 114.6 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.66 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 87.1 tttt -86.1 168.27 14.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.249 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.532 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -50.35 112.07 2.57 Favored Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.715 0.406 . . . . 0.0 110.504 175.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.8 -41.31 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.177 1.918 . . . . 0.0 112.164 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 p -115.48 138.72 50.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.971 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -83.2 -50.84 0.68 Allowed Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 173.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.7 Cg_exo -76.44 108.37 2.65 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.222 1.948 . . . . 0.0 111.671 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.6 pt -66.72 -21.41 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 44' ' ' LEU . 31.9 t70 -50.89 -59.87 3.67 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 90.3 m-85 -62.38 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.502 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 t -61.4 -43.5 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -74.82 -31.29 61.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.646 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 40' ' ' ASP . 10.1 mp -71.56 -22.71 61.71 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 172.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 64.51 91.62 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.833 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 38.4 Cg_endo -65.9 -47.54 3.64 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.695 2.263 . . . . 0.0 112.519 -175.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 -63.14 3.34 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.973 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 3.5 mppt? -67.64 119.17 64.02 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 122.328 0.251 . . . . 0.0 110.788 -177.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.35 -20.06 69.48 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.027 2.485 . . . . 0.0 112.344 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.03 13.62 1.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.553 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 32.7 t -52.85 -38.75 61.88 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.18 0.514 . . . . 0.0 110.187 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.661 HD13 ' N ' ' A' ' 53' ' ' LEU . 2.3 pp -60.63 -40.8 85.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 175.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.661 ' N ' HD13 ' A' ' 52' ' ' ILE . 42.8 tp -75.0 -23.47 58.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.235 0.54 . . . . 0.0 109.922 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 51' ' ' SER . 24.0 tptm -66.65 -48.34 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.959 175.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.401 ' HE1' HG23 ' A' ' 52' ' ' ILE . 26.9 ptt? -84.66 -21.23 30.31 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.015 -177.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 95.1 m -87.58 109.35 19.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.95 0.405 . . . . 0.0 110.747 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -94.9 137.1 34.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.018 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -94.8 160.99 14.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.54 57.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -79.03 146.02 33.55 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.067 0.46 . . . . 0.0 110.764 -179.074 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.9 t -101.05 -16.69 17.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.686 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.562 HD11 ' N ' ' A' ' 63' ' ' MET . 1.3 tm? -148.98 141.6 24.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.562 ' N ' HD11 ' A' ' 62' ' ' LEU . 21.7 ptm -146.44 142.33 28.03 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.444 ' HE2' HD13 ' A' ' 109' ' ' LEU . 52.1 mtt -123.5 123.94 41.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.23 -172.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -90.9 96.51 10.67 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 122' ' ' LEU . 16.4 t -90.67 104.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.603 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 m -76.28 97.19 4.12 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.761 HG13 HG21 ' A' ' 80' ' ' ILE . 24.1 t -101.64 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.186 -173.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.4 t -63.81 -67.01 0.46 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.825 -173.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.421 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 75.08 -1.36 55.93 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.833 -175.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.4 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 1.7 p-10 -126.14 151.81 72.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 122.775 0.43 . . . . 0.0 109.861 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.74 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.275 2.65 . . . . 0.0 113.64 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.4 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 5.9 p -59.3 97.07 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.356 0.598 . . . . 0.0 111.103 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.4 -27.22 14.92 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.308 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 3.8 mptp? -45.57 -41.17 9.63 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.563 0.54 . . . . 0.0 111.304 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.53 -60.11 4.31 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.215 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.6 t -68.16 -36.09 79.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.52 -58.19 9.67 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.402 0.62 . . . . 0.0 110.326 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.478 ' O ' HD12 ' A' ' 83' ' ' LEU . 44.6 mt-10 -62.4 -45.38 93.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.109 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.761 HG21 HG13 ' A' ' 68' ' ' VAL . 9.7 tp -62.24 -38.69 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.664 -177.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.3 m -65.51 -35.26 80.34 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.2 m -63.17 -41.78 99.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 79' ' ' GLU . 9.6 mp -63.11 -47.59 82.15 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.455 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 22.9 m0 -61.39 -41.19 96.73 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.89 -51.83 59.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.063 177.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.27 52.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.025 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 m -58.64 -48.39 81.18 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 88.0 mt -64.67 -39.06 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.84 -9.96 59.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.512 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -37.5 64.05 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 172.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.9 2.24 56.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.597 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t30 57.99 62.65 1.99 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.737 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -93.45 99.42 11.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.653 ' HB2' ' HE ' ' A' ' 110' ' ' ARG . 4.8 m-20 -65.27 82.49 0.05 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 m -125.32 157.76 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.656 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.736 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 45.8 mt-30 -102.01 151.63 21.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.463 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.98 122.42 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.02 -177.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -137.72 158.97 43.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -111.48 108.97 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.586 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.73 116.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.54 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.02 102.6 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 m -43.8 -26.51 0.26 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 8.5 m-20 -66.04 -41.97 90.17 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.489 ' H ' ' HD2' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -128.06 160.84 30.73 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.505 0.669 . . . . 0.0 112.205 -170.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.15 148.46 44.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.836 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.812 HG13 ' SD ' ' A' ' 108' ' ' MET . 6.5 tp -111.38 122.96 66.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.11 0.481 . . . . 0.0 111.246 -175.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.1 134.67 53.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.168 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.812 ' SD ' HG13 ' A' ' 106' ' ' ILE . 3.3 mpp? -116.24 123.19 47.11 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.526 0.33 . . . . 0.0 110.532 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.444 HD13 ' HE2' ' A' ' 64' ' ' MET . 52.1 mt -102.68 122.27 44.1 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.363 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.653 ' HE ' ' HB2' ' A' ' 94' ' ' ASP . 13.3 ptt180 -80.03 -22.98 41.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.38 142.87 50.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.754 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.95 5.32 32.25 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.404 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 m -67.47 -20.17 65.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.236 0.518 . . . . 0.0 110.964 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.407 ' O ' HG21 ' A' ' 118' ' ' ILE . 45.8 p90 -124.13 27.87 6.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.82 -60.53 3.56 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.378 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.487 ' HE3' ' HA ' ' A' ' 116' ' ' TRP . 1.4 m95 -70.53 -26.27 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.383 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.38 -57.37 12.54 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.627 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.482 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -64.75 -33.43 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.156 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -54.03 -52.11 61.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.48 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.658 ' HA ' HG21 ' A' ' 123' ' ' VAL . 7.2 m-20 -66.85 -38.4 86.3 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.579 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -55.13 -40.04 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.395 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 66' ' ' VAL . 92.5 mt -72.89 -52.25 15.45 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.265 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.658 HG21 ' HA ' ' A' ' 120' ' ' ASP . 20.9 m -68.46 -16.41 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.744 0.307 . . . . 0.0 111.734 -175.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -74.89 -0.58 18.99 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.597 ' NE2' HD12 ' A' ' 80' ' ' ILE . 6.4 tp-100 -63.36 156.66 25.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.1 -47.55 74.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.552 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -82.77 2.35 34.39 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.684 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m 69.6 -67.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.598 0.759 . . . . 0.0 111.278 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.67 119.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.564 0.54 . . . . 0.0 111.575 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -79.64 113.13 17.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.984 0.421 . . . . 0.0 110.34 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.404 HG22 HG23 ' A' ' 66' ' ' VAL . 7.7 p -92.01 119.37 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 110.97 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.2 m -107.11 108.99 20.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.4 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.5 HD22 HD13 ' A' ' 62' ' ' LEU . 3.9 mp -95.44 155.68 16.64 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -173.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -88.79 149.93 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.267 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 91.67 60.56 1.27 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -174.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -64.46 82.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.439 0.638 . . . . 0.0 110.88 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -127.67 -0.56 6.12 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.152 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.515 ' N ' ' HD2' ' A' ' 139' ' ' PRO . 63.7 t80 179.21 -51.56 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.603 -173.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 138' ' ' TYR . 47.7 Cg_endo -68.18 4.34 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 122.466 2.111 . . . . 0.0 113.301 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -145.13 177.99 23.2 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.118 -177.02 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.197 -0.361 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.03 84.85 0.71 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 pt -132.72 -30.79 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.264 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -66.54 -32.29 73.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.693 -177.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.41 -43.29 94.84 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.189 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -59.97 -48.64 80.87 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.388 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.561 ' O ' ' HB2' ' A' ' 11' ' ' MET . 32.3 m-80 -58.32 -52.6 64.93 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.904 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.13 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -58.42 6.46 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.06 -173.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.35 -44.44 75.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.866 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.66 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 22.9 mmt -70.78 -37.71 73.37 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.188 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.04 -57.5 12.29 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -50.63 -48.13 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.004 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -56.26 -45.97 79.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 11' ' ' MET . 4.6 mm? -78.41 -19.39 53.36 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.83 -177.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 48.8 mt-10 -81.1 -40.64 23.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.431 0.158 . . . . 0.0 110.716 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.536 ' HA ' HE21 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -52.55 -73.64 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.849 -176.243 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -51.71 -36.68 47.73 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.676 0.274 . . . . 0.0 111.139 -174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.66 -65.48 0.67 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.05 0.452 . . . . 0.0 110.916 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 22.7 pttp -71.23 -39.81 71.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.055 -174.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.4 -35.83 78.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.527 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.49 -34.12 58.65 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.21 -41.26 96.53 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.539 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 20' ' ' LYS . 81.0 mt -75.93 -42.18 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.173 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.36 -63.11 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -86.61 -60.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.22 30.65 77.18 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.082 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -139.2 100.59 4.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.39 141.03 25.15 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.816 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.85 99.73 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.542 2.161 . . . . 0.0 111.856 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.38 -20.66 62.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.194 0.521 . . . . 0.0 110.019 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -117.02 104.86 11.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.733 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -90.38 153.35 20.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -59.14 130.58 86.92 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.677 175.268 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -57.07 -49.43 14.25 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.875 2.384 . . . . 0.0 112.434 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.516 ' O ' ' HD3' ' A' ' 34' ' ' ARG . 39.8 t -69.71 108.93 4.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.372 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.39 -48.54 0.16 Allowed Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 91.7 Cg_endo -78.69 48.84 2.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 122.388 2.059 . . . . 0.0 113.383 -173.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.42 HD12 ' NH1' ' A' ' 34' ' ' ARG . 59.8 mt -53.84 -55.66 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -55.35 -45.54 76.46 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.474 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.416 ' HB2' ' HB2' ' A' ' 38' ' ' PRO . 89.8 m-85 -59.7 -36.94 77.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -68.73 -30.61 69.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.499 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -68.37 -39.43 81.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.18 -33.67 73.74 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 66.91 90.65 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.17 175.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -74.18 168.22 25.32 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.445 2.096 . . . . 0.0 111.205 172.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.25 -39.42 2.83 Favored Glycine 0 C--O 1.234 0.156 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -91.25 108.46 28.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.14 -72.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.528 2.152 . . . . 0.0 111.995 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' HG2' ' HB3' ' A' ' 53' ' ' LEU . 32.5 tt0 55.22 27.85 10.3 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.007 0.908 . . . . 0.0 109.068 -175.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 p -52.95 -39.22 62.75 Favored 'General case' 0 N--CA 1.458 -0.05 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.72 -173.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 HG13 ' N ' ' A' ' 53' ' ' LEU . 23.4 pt -56.27 -55.73 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.218 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.474 ' N ' HG13 ' A' ' 52' ' ' ILE . 61.9 tp -69.77 -28.01 65.4 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.123 0.487 . . . . 0.0 110.463 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -73.94 -42.37 60.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.864 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.461 ' HE2' ' HA ' ' A' ' 52' ' ' ILE . 26.7 ptt? -82.09 -22.78 36.09 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.954 -176.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.5 p -82.41 130.69 35.16 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.024 0.44 . . . . 0.0 110.662 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.78 127.05 35.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.875 177.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -80.83 147.67 30.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.222 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.11 63.43 0.26 Allowed Glycine 0 N--CA 1.452 -0.259 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -79.23 118.03 20.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.323 . . . . 0.0 110.605 -174.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.2 p -83.97 28.41 0.6 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.889 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt -80.44 100.19 8.37 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.626 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 60.3 mtp -121.2 140.79 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.418 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 63.6 mtt -126.72 120.78 30.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.794 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.459 ' CZ ' HD13 ' A' ' 106' ' ' ILE . 76.6 m-85 -95.86 126.52 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 171.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.75 HG21 HD11 ' A' ' 122' ' ' LEU . 45.2 t -127.89 118.91 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.497 0.189 . . . . 0.0 110.708 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 129' ' ' ALA . 5.5 t -79.1 100.79 7.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.326 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 69' ' ' SER . 4.0 p -101.0 -57.55 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.492 -168.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.456 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 55.8 p -70.81 -62.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 111.3 -171.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.22 5.38 81.16 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.09 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.403 HD22 ' HB2' ' A' ' 76' ' ' GLU . 3.9 p-10 -125.85 146.98 57.17 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.22 -38.75 73.97 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.056 2.504 . . . . 0.0 113.369 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -67.3 118.27 10.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 111.388 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 77' ' ' THR . 12.4 pt-20 -75.2 -20.97 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -172.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.7 ' HB2' ' HZ2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -52.98 -37.13 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.357 178.601 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.591 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 12.8 mm-40 -65.4 -52.39 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.427 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 74' ' ' GLU . 15.3 t -63.41 -33.55 75.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.763 0.316 . . . . 0.0 110.277 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.46 -50.65 66.68 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.21 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 62.8 mm-40 -58.1 -55.97 28.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.3 tp -66.61 -39.17 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -174.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.5 m -67.45 -35.24 78.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.577 0.227 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.6 p -70.19 -37.15 75.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.022 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 96.6 mt -61.74 -44.77 96.27 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 110.029 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.575 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.6 m0 -56.94 -56.16 25.29 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.235 175.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.455 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 8.8 tt0 -47.02 -53.81 11.66 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.646 0.591 . . . . 0.0 110.583 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.41 -52.96 44.19 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.21 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 m -57.23 -39.58 75.82 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.646 0.26 . . . . 0.0 111.276 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 80.4 mt -64.4 -39.58 94.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.019 0.438 . . . . 0.0 110.779 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' HD1' ' O ' ' A' ' 85' ' ' GLN . 47.0 m-85 -78.4 -26.84 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -75.15 -26.88 59.47 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.47 5.86 22.34 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 65.99 19.61 11.23 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.079 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -66.63 -59.07 3.94 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.538 ' HB3' HH12 ' A' ' 110' ' ' ARG . 28.1 t70 64.12 103.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 -171.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 166.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.055 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.644 ' HB3' ' HB3' ' A' ' 108' ' ' MET . 48.0 tp60 -100.02 138.16 37.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.624 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -134.76 141.13 46.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 111.275 -168.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.486 ' HB2' HG21 ' A' ' 106' ' ' ILE . 59.8 m-85 -141.33 157.65 44.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.208 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -121.11 90.16 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 109.946 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.445 ' O ' HG21 ' A' ' 100' ' ' VAL . 18.8 m -108.88 99.91 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.919 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.64 103.23 0.99 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 p -44.09 -33.27 1.42 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.418 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 13.5 t70 -63.08 -37.66 88.11 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.059 0.457 . . . . 0.0 111.917 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -129.38 125.8 37.43 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.255 0.55 . . . . 0.0 111.928 -169.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.05 163.58 13.6 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.486 HG21 ' HB2' ' A' ' 98' ' ' PHE . 3.3 tt -138.31 140.05 40.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.473 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -125.99 162.59 24.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.644 ' HB3' ' HB3' ' A' ' 96' ' ' GLN . 51.2 ttm -135.43 119.34 17.38 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.645 HD23 HG21 ' A' ' 118' ' ' ILE . 5.4 mp -103.67 164.42 11.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.734 -174.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.538 HH12 ' HB3' ' A' ' 94' ' ' ASP . 85.6 mtm-85 -87.72 -55.48 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.682 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -135.44 162.59 32.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.043 0.449 . . . . 0.0 111.079 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.568 ' HA2' ' HB3' ' A' ' 115' ' ' ALA . . . -76.6 -2.42 75.23 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.654 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -52.01 -29.96 23.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.97 0.508 . . . . 0.0 111.815 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.457 ' O ' HG23 ' A' ' 118' ' ' ILE . 35.8 p90 -129.04 12.25 6.12 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.568 ' HB3' ' HA2' ' A' ' 112' ' ' GLY . . . -59.04 -49.9 76.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.492 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -74.22 -26.59 60.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.038 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.83 -49.5 37.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.154 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.645 HG21 HD23 ' A' ' 109' ' ' LEU . 11.7 tt -65.32 -42.31 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.23 -40.74 86.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.9 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.47 -51.66 68.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.85 -38.55 61.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.75 HD11 HG21 ' A' ' 66' ' ' VAL . 81.8 mt -72.58 -53.02 13.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.331 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 129' ' ' ALA . 32.8 m -71.49 -19.92 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.6 m -79.44 -0.72 34.17 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.568 ' HG2' ' H ' ' A' ' 127' ' ' ARG . 36.1 tt0 -66.09 145.73 55.5 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.033 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.68 -19.33 62.22 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.098 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.568 ' H ' ' HG2' ' A' ' 125' ' ' GLN . 71.8 mtt-85 -83.21 7.33 16.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 37.6 m 58.21 43.34 20.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.113 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 123' ' ' VAL . . . -61.86 98.99 0.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.055 -177.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.64 141.31 36.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.144 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.2 p -102.85 155.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.5 m -140.04 120.09 13.67 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.602 HD13 ' HD1' ' A' ' 138' ' ' TYR . 80.6 mt -86.62 118.42 26.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.938 0.399 . . . . 0.0 110.291 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 63' ' ' MET . 7.8 tp10 -95.2 150.39 20.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.372 -178.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 86.07 -152.85 26.16 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -114.04 90.45 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.519 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -168.18 98.31 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.602 ' HD1' HD13 ' A' ' 133' ' ' LEU . 51.4 t80 -161.21 136.75 5.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.52 84.85 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.38 2.053 . . . . 0.0 111.968 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 125.41 -166.29 18.2 Favored Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.92 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 24.0 tptm . . . . . 0 C--O 1.246 0.869 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.522 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -169.54 -174.71 1.97 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mm -63.34 -58.64 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -67.6 -35.6 79.28 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.17 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.36 -46.88 87.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.183 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -48.59 80.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.291 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -57.11 -65.57 0.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.445 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -54.52 -58.5 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.283 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -62.01 -63.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.786 -174.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.3 -47.07 83.8 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.758 0.314 . . . . 0.0 111.389 -172.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.2 ttm -66.96 -36.14 81.53 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.382 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 16' ' ' GLU . . . -62.58 -49.91 73.38 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 14.9 mmp_? -56.96 -26.95 60.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.25 -49.54 13.54 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD12 ' NE1' ' A' ' 18' ' ' TRP . 4.0 mm? -85.09 7.56 21.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -174.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 34.7 mm-40 -48.36 -28.82 3.43 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.741 0.305 . . . . 0.0 110.786 173.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -47.78 -46.89 30.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.79 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.402 ' NE1' HD12 ' A' ' 15' ' ' LEU . 14.7 m95 -67.81 -41.11 83.6 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.427 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.86 -41.05 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.7 tttt -63.36 -45.52 90.79 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 25.1 t70 -56.93 -46.08 82.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.111 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.64 -44.22 89.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.833 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.57 -36.93 84.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.029 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.7 mt -70.79 -35.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 47.4 mm-40 -70.68 -50.86 32.06 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.34 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' HG2' ' H ' ' A' ' 27' ' ' GLY . 34.6 tt0 -169.95 175.02 5.3 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -174.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.452 ' H ' ' HG2' ' A' ' 26' ' ' GLU . . . 92.98 35.87 6.21 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -108.22 129.5 55.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.777 -0.712 . . . . 0.0 110.143 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' GLU . 8.7 mp -102.56 110.32 62.74 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.62 81.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.496 2.797 . . . . 0.0 114.108 -171.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.0 pt-20 -96.08 -13.91 23.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.782 173.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -68.91 135.81 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.34 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.699 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -96.23 176.82 5.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 -177.525 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -86.91 113.62 54.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.033 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.21 -45.52 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.961 1.774 . . . . 0.0 110.008 170.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -132.47 111.07 10.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.938 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.663 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -86.5 -52.04 0.45 Allowed Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.489 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.663 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 16.1 Cg_exo -69.7 124.12 10.8 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.232 1.954 . . . . 0.0 111.567 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.1 tt -60.25 -17.04 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.384 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.92 -41.73 58.91 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -62.91 -37.81 88.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.736 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -75.73 -30.0 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.639 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -74.76 -50.48 17.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 -178.349 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.18 -39.28 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.44 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.2 t70 60.1 79.78 0.28 Allowed Pre-proline 0 N--CA 1.468 0.426 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.19 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.36 172.33 12.44 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.906 2.404 . . . . 0.0 112.248 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.1 -44.83 1.18 Allowed Glycine 0 CA--C 1.511 -0.215 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.05 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -72.97 129.82 85.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -86.25 158.13 9.72 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.734 2.289 . . . . 0.0 112.394 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 43.4 mt-10 -106.65 28.5 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.658 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.8 p -43.84 -64.94 0.57 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.839 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.532 HD13 ' N ' ' A' ' 53' ' ' LEU . 2.8 pp -61.29 -31.59 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.405 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.532 ' N ' HD13 ' A' ' 52' ' ' ILE . 2.9 tm? -64.91 -48.88 72.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HE2' ' HB2' ' A' ' 50' ' ' GLU . 56.6 mmtt -73.48 -29.95 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.041 0.448 . . . . 0.0 109.83 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.6 ttp -74.91 -18.43 60.41 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.01 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -58.6 99.32 0.05 OUTLIER 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.078 0.466 . . . . 0.0 110.113 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -114.22 136.52 52.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.553 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.692 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -83.74 146.38 28.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.554 176.156 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.51 56.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -174.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.574 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -117.31 129.77 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.14 0.495 . . . . 0.0 110.728 -178.745 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -119.44 1.19 11.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.604 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 109' ' ' LEU . 1.4 tt -79.85 110.43 15.2 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.195 0.521 . . . . 0.0 110.194 -173.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.561 ' SD ' HD11 ' A' ' 106' ' ' ILE . 53.8 mtm -131.83 130.55 41.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.351 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.447 ' HE1' ' O ' ' A' ' 115' ' ' ALA . 63.6 mtt -108.05 118.59 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.881 0.372 . . . . 0.0 110.266 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -93.77 106.54 18.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.013 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.545 HG21 HG12 ' A' ' 131' ' ' VAL . 35.7 t -97.27 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.571 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.0 m -72.77 91.65 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.732 HG12 HG21 ' A' ' 80' ' ' ILE . 57.7 t -81.75 -60.49 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.996 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.478 ' OG ' ' HA ' ' A' ' 103' ' ' ASP . 37.3 p -91.79 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.146 0.498 . . . . 0.0 111.707 -172.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.442 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 88.65 -0.95 83.37 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -173.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.57 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.4 p-10 -126.34 159.64 61.82 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 123.089 0.556 . . . . 0.0 109.531 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.57 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 38.7 Cg_endo -64.36 -23.84 65.05 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.79 2.327 . . . . 0.0 114.317 -167.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.54 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 80.9 p -64.63 96.6 0.18 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.09 0.472 . . . . 0.0 110.892 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.08 -20.21 63.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.98 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -40.7 -56.17 2.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.291 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.45 -58.61 6.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.343 -176.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m -63.48 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.461 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.95 -51.12 63.58 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.001 0.429 . . . . 0.0 110.37 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' O ' HD11 ' A' ' 83' ' ' LEU . 22.6 mm-40 -58.01 -53.15 61.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.924 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.732 HG21 HG12 ' A' ' 68' ' ' VAL . 9.7 tp -61.49 -37.28 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.676 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.1 m -64.51 -30.81 71.84 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.554 175.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 85' ' ' GLN . 39.9 m -70.7 -40.93 72.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.488 176.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.51 -47.56 85.6 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -63.65 -34.85 78.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' A' ' 82' ' ' SER . 28.4 tt0 -54.21 -62.58 1.56 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.05 -51.29 56.58 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.251 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 m -59.51 -50.34 74.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.82 -47.15 72.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.591 0.234 . . . . 0.0 111.096 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -70.48 -28.34 64.91 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.414 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.41 -31.16 70.31 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.02 9.72 11.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.71 22.14 10.44 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.337 0.655 . . . . 0.0 112.228 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -79.94 89.62 5.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 173.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.524 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 35.8 m-20 -72.82 79.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.89 -179.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.123 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -121.17 154.31 36.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.84 130.13 19.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.064 0.459 . . . . 0.0 110.118 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.472 ' HB2' HG21 ' A' ' 106' ' ' ILE . 57.1 m-85 -131.83 159.68 37.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.439 HD11 ' HA ' ' A' ' 102' ' ' SER . 13.2 tt -125.39 89.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.75 0.786 . . . . 0.0 110.782 177.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 100' ' ' VAL . 16.9 m -99.57 100.16 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.952 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.66 103.83 1.7 Allowed Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -169.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.439 ' HA ' HD11 ' A' ' 99' ' ' ILE . 24.3 m -54.84 -7.94 0.22 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -173.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.478 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 3.8 p-10 -91.72 -29.65 16.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.565 0.221 . . . . 0.0 111.172 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -124.32 124.87 43.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.137 0.494 . . . . 0.0 111.646 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.92 127.15 43.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.968 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.561 HD11 ' SD ' ' A' ' 63' ' ' MET . 2.4 tt -99.95 112.82 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.796 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -100.87 120.18 39.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.203 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 50.5 ttm -91.92 132.24 36.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.515 HD13 HD22 ' A' ' 62' ' ' LEU . 7.8 mp -98.3 165.38 11.89 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.524 ' NH1' ' HB2' ' A' ' 94' ' ' ASP . 40.3 ttt180 -91.12 -32.12 15.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.915 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -164.45 166.06 20.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.493 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.27 -11.59 69.11 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.706 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -56.62 -28.03 59.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.978 0.389 . . . . 0.0 112.018 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -118.84 25.64 10.08 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.498 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' ' HE1' ' A' ' 64' ' ' MET . . . -60.63 -50.78 72.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -66.32 -31.06 71.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.62 -51.82 60.69 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.2 tt -69.43 -40.56 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.433 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.573 ' HD2' HD12 ' A' ' 133' ' ' LEU . 64.7 tttp -60.2 -41.81 93.77 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.997 0.427 . . . . 0.0 110.433 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.547 ' HA ' HG23 ' A' ' 123' ' ' VAL . 24.1 t70 -64.7 -44.96 88.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.703 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -55.95 -40.5 73.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.554 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 96.8 mt -67.26 -42.4 83.95 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.547 HG23 ' HA ' ' A' ' 120' ' ' ASP . 20.0 m -79.19 -8.87 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.157 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.7 m -62.57 -15.09 49.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.968 0.413 . . . . 0.0 110.588 172.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.05 133.33 55.99 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.056 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -53.45 -46.36 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 84.9 mtm-85 -87.45 38.54 0.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.533 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.8 p -47.29 110.27 0.29 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.695 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.02 -158.32 0.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.126 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -79.76 117.7 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.214 0.53 . . . . 0.0 112.135 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.545 HG12 HG21 ' A' ' 66' ' ' VAL . 60.9 t -107.39 97.37 5.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.759 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.5 p -92.55 139.38 30.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.573 HD12 ' HD2' ' A' ' 119' ' ' LYS . 7.0 mp -101.21 134.22 44.59 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.045 0.45 . . . . 0.0 111.296 -177.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -121.46 140.86 51.63 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 171.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 113.35 70.32 0.54 Allowed Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.113 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.03 -75.65 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.064 0.545 . . . . 0.0 111.39 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 23.0 ptm -74.72 100.93 4.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.467 0.651 . . . . 0.0 111.52 -172.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 133' ' ' LEU . 51.4 t80 -154.34 118.19 2.61 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.581 176.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.14 125.35 15.62 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.719 2.279 . . . . 0.0 111.875 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 130.27 55.69 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.4 mptt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.529 -176.626 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 112.027 -0.429 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.474 ' OD1' ' HD3' ' A' ' 4' ' ' ARG . 16.4 t70 -141.92 172.3 12.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.7 tt -61.16 -26.95 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' HD3' ' OD1' ' A' ' 2' ' ' ASP . 5.4 mpt_? -57.01 -47.26 81.28 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.278 175.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.99 -49.29 76.2 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.407 0.442 . . . . 0.0 110.087 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -55.24 -45.1 76.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.175 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.531 ' O ' ' HB2' ' A' ' 11' ' ' MET . 95.0 m-20 -61.82 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.943 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.2 p30 -57.63 -50.69 72.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.327 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.76 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.52 0.2 . . . . 0.0 111.468 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.55 -52.83 13.94 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.205 -172.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.747 ' HE1' ' HA ' ' A' ' 11' ' ' MET . 10.5 mmt -60.72 -42.2 96.8 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.871 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -70.69 -44.24 67.36 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.076 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -54.16 -31.43 52.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.368 . . . . 0.0 110.583 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -80.18 -44.14 20.33 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.16 24.54 8.55 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.68 0.276 . . . . 0.0 110.943 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 38.3 tt0 -45.85 -52.26 11.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.443 0.697 . . . . 0.0 112.45 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -54.34 -56.51 17.8 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.444 0.64 . . . . 0.0 111.102 -177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -63.58 -39.18 93.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.864 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -71.64 -45.08 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.562 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 12.0 ptmm? -62.79 -47.22 84.43 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.79 -44.7 80.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.04 -40.3 80.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.95 -41.25 87.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.012 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 20' ' ' LYS . 85.9 mt -61.21 -39.7 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.087 0.47 . . . . 0.0 110.512 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -82.61 -21.62 35.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 9.7 tp10 64.45 19.7 11.89 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.368 177.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.9 21.36 73.26 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.922 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -79.19 89.45 4.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 76.5 mt -77.56 135.89 64.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.635 -176.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 18.1 Cg_exo -66.85 75.79 0.42 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.698 2.265 . . . . 0.0 111.616 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -88.11 -14.74 38.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 109.651 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -96.93 133.49 41.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.881 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 1.6 tpmt? -70.51 138.04 50.72 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.653 -175.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.535 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 12.2 tpp180 -68.01 114.19 19.25 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.056 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.535 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 89.9 Cg_endo -82.15 2.42 8.54 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.162 2.574 . . . . 0.0 114.052 -173.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 p -68.07 110.97 4.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.594 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -88.34 -47.8 0.44 Allowed Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.099 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 89.7 Cg_endo -76.82 47.81 2.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 122.511 2.141 . . . . 0.0 112.719 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 pt -53.91 -26.38 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.892 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.49 -61.34 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.529 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 80.0 m-85 -59.9 -37.22 78.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.509 -177.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -64.95 -32.66 74.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.196 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -81.18 -35.56 31.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.455 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.09 -22.49 62.09 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 61.84 90.4 0.09 OUTLIER Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.055 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 67.1 Cg_endo -71.94 147.76 50.11 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.653 2.235 . . . . 0.0 112.177 -176.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.8 -5.64 34.84 Favored Glycine 0 C--N 1.33 0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.965 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.572 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 45.8 mmtm -98.06 115.15 65.79 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 23.1 Cg_exo -64.33 -79.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.864 2.376 . . . . 0.0 112.745 -175.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.14 1.46 26.24 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.033 -176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.572 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 9.2 m -54.57 -41.57 69.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.588 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.8 pp -63.47 -37.03 78.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.588 ' N ' HD12 ' A' ' 52' ' ' ILE . 57.8 tp -75.39 -28.59 59.51 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.312 0.577 . . . . 0.0 110.099 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -80.75 -29.2 36.29 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.778 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.8 ttp -94.6 -22.3 18.27 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.129 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.6 m -110.81 105.23 14.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.764 0.316 . . . . 0.0 110.204 177.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -114.6 122.86 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.688 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.607 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -82.86 160.1 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.57 60.27 0.43 Allowed Glycine 0 CA--C 1.511 -0.165 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.71 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 11.6 mmpt? -88.43 144.72 26.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.241 -0.48 . . . . 0.0 110.252 -174.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.7 m -90.26 4.4 50.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.732 -171.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp -102.73 109.71 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 63' ' ' MET . 1.3 pmm? -128.84 153.43 47.46 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.762 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 58.1 mtt -127.2 123.41 36.56 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.345 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -92.45 100.32 12.89 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 t -91.29 101.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 130' ' ' GLU . 5.7 t -84.18 102.62 12.73 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.534 0.683 . . . . 0.0 109.727 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.64 HG12 HG21 ' A' ' 80' ' ' ILE . 43.6 t -102.4 -51.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.111 -173.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.659 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 41.9 t -64.45 -72.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.161 -170.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.81 56.61 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.581 -171.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.572 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 3.3 p-10 -125.8 159.62 60.37 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.572 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 55.8 Cg_endo -67.91 -19.01 46.84 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.505 2.137 . . . . 0.0 114.33 -168.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.425 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 13.3 p -85.74 168.83 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.145 -0.347 . . . . 0.0 111.039 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.64 -31.99 9.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.538 ' HB3' ' HZ1' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -52.18 -42.0 63.1 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -168.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -59.64 -49.81 76.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -175.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.604 ' HG1' ' HB2' ' A' ' 69' ' ' SER . 58.3 m -74.25 -36.33 63.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.469 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.14 -52.35 64.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 109.697 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.51 -54.36 41.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.799 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.64 HG21 HG12 ' A' ' 68' ' ' VAL . 11.0 tp -59.84 -37.46 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.984 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -68.89 -35.81 77.32 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.0 m -64.82 -38.13 89.96 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.466 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.71 -47.11 85.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -61.51 -36.74 81.39 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.613 ' HG2' ' HD2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -57.65 -53.4 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.06 98.31 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.423 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.418 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 43.3 m -66.55 -58.69 4.68 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -174.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.39 -34.4 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 111.461 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -88.66 -21.46 23.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 18.2 p30 -76.37 -24.7 54.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.45 0.85 57.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.17 173.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.7 m120 62.24 63.95 1.01 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.119 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -109.2 112.38 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 170.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.27 84.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.02 -176.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.994 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.558 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 3.9 mm-40 -138.98 157.14 46.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.527 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.613 ' HD2' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -156.48 134.97 11.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.592 179.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -141.19 155.72 46.02 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.8 96.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.528 0.68 . . . . 0.0 110.04 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.0 p -114.79 105.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.94 99.82 0.35 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 p -50.48 -20.24 1.09 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -168.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.659 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-20 -60.27 -40.83 91.76 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.47 142.35 49.2 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.248 0.547 . . . . 0.0 111.862 -174.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.79 128.77 51.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.138 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -92.17 116.5 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 111.005 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -103.5 128.67 50.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.276 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 65.5 mtt -104.78 127.75 52.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -113.9 168.56 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.614 -174.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.606 ' HA ' ' HG3' ' A' ' 60' ' ' LYS . 56.5 mtp180 -96.56 -56.57 2.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.67 152.46 40.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.555 -170.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.53 -5.38 63.46 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.012 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.2 p -65.8 -72.87 0.14 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.448 0.299 . . . . 0.0 110.88 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.12 -12.9 61.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.432 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 119' ' ' LYS . . . -50.55 -39.32 48.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.381 0.61 . . . . 0.0 110.911 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.64 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 3.2 m95 -71.51 -41.16 69.57 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.698 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.14 -28.99 64.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.524 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -76.81 -31.66 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 116' ' ' TRP . 42.0 mtmt -54.4 -56.31 19.88 Favored 'General case' 0 C--N 1.346 0.445 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 168.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.13 -40.73 70.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -58.99 -45.72 89.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.526 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 85.7 mt -63.22 -39.44 94.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.069 0.461 . . . . 0.0 110.091 175.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 119' ' ' LYS . 82.1 t -64.8 -24.62 35.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.622 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.5 m -75.98 -0.81 22.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.472 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.501 ' HA ' ' OE1' ' A' ' 125' ' ' GLN . 9.9 mm-40 -81.2 145.97 30.73 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 111.726 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -49.11 -41.85 37.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.783 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.77 6.86 39.59 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -168.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.7 t 64.65 -73.76 0.05 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 70.48 -169.57 0.16 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.112 0.565 . . . . 0.0 111.006 -176.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.521 ' HB3' HG22 ' A' ' 67' ' ' THR . 34.2 tt0 -138.78 147.54 42.72 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.05 138.52 37.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.116 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.4 m -122.55 152.6 40.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.762 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 1.6 pt? -141.62 169.71 17.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.865 0.302 . . . . 0.0 111.306 -177.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.38 140.85 56.96 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.534 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 94.85 28.42 10.14 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -173.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 67.12 -67.63 0.17 Allowed 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.417 0.687 . . . . 0.0 110.556 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -165.08 -50.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -110.39 146.55 34.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.608 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -67.05 163.45 33.94 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.612 2.208 . . . . 0.0 112.462 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.61 -174.59 9.3 Favored Glycine 0 C--O 1.237 0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.617 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.128 -179.057 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 112.172 -0.371 . . . . 0.0 112.172 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -109.28 -41.62 4.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 3' ' ' ILE . 31.5 pt -61.67 116.54 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.891 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 5' ' ' ASP . 12.9 ptm180 -111.48 -44.16 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.284 174.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 4' ' ' ARG . 5.1 m-20 -61.99 -47.33 85.27 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.472 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 73.5 t80 -60.05 -48.5 81.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.218 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' A' ' 11' ' ' MET . 81.0 m-20 -56.34 -65.79 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.269 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.45 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -64.86 0.73 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.537 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 2.7 m-20 -67.89 -54.97 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.246 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.557 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.9 ttm -65.66 -34.7 78.82 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.449 -171.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -61.89 -55.73 26.65 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 16.2 mmt180 -62.54 -12.31 21.78 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 80.8 mt -82.79 -42.01 18.45 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.385 0.136 . . . . 0.0 110.987 172.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 11' ' ' MET . 1.6 pp -126.71 38.06 4.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 111.224 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ALA . 9.1 pt-20 -49.01 -16.73 0.15 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -57.15 -49.36 76.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -62.81 -41.59 99.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 110.445 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.08 -45.55 75.4 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.778 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.11 -54.47 44.65 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 11.9 m-20 -73.91 -21.65 59.98 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.382 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.1 -44.16 63.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.732 0.301 . . . . 0.0 110.48 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -76.23 -54.36 13.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -77.6 -16.49 58.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 11.3 tt0 61.28 78.09 0.3 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.5 170.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.66 87.22 0.02 OUTLIER Glycine 0 C--N 1.334 0.44 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.94 172.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.29 129.84 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.652 0.226 . . . . 0.0 110.399 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.79 121.69 78.84 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.342 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.37 165.77 23.7 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.758 2.305 . . . . 0.0 111.96 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -76.06 2.73 12.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.477 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -98.7 105.23 17.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.987 0.422 . . . . 0.0 110.384 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -120.95 125.93 48.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 31.0 ptt180 -76.83 117.38 64.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.591 0.234 . . . . 0.0 110.453 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 -8.91 19.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.188 . . . . 0.0 111.475 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -123.74 109.95 14.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.626 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -98.43 -52.5 0.2 Allowed Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.034 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 71.9 Cg_endo -82.79 42.69 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.413 2.075 . . . . 0.0 113.058 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.19 -49.51 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.29 -44.05 88.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.49 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.69 -37.45 87.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.771 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -73.35 -28.48 62.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -75.87 -53.59 8.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.345 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.71 -30.83 36.28 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.364 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.2 t70 53.38 76.65 0.51 Allowed Pre-proline 0 N--CA 1.469 0.497 0 CA-C-O 121.116 0.484 . . . . 0.0 110.63 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.47 147.41 32.2 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.371 2.047 . . . . 0.0 111.813 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.2 0.59 41.2 Favored Glycine 0 CA--C 1.516 0.114 0 C-N-CA 121.302 -0.475 . . . . 0.0 112.682 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -69.29 147.69 97.24 Favored Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.07 142.56 34.45 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.878 2.386 . . . . 0.0 112.873 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.91 16.4 5.97 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.007 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.2 m -52.33 -54.41 32.01 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.498 0.319 . . . . 0.0 111.496 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.516 HD11 ' N ' ' A' ' 53' ' ' LEU . 2.9 pp -62.62 -34.83 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.815 0.341 . . . . 0.0 110.964 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.516 ' N ' HD11 ' A' ' 52' ' ' ILE . 6.0 tt -64.02 -48.15 77.46 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -70.35 -26.94 63.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.898 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 57.3 ttp -81.91 -21.17 37.51 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.27 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.7 p -99.79 99.92 10.8 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.951 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -101.96 138.82 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.488 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.32 153.78 33.83 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 176.472 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.6 29.77 6.46 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.256 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 109' ' ' LEU . 24.1 tptm -79.92 137.42 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.4 t -75.52 9.9 1.96 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.467 ' H ' ' HG3' ' A' ' 60' ' ' LYS . 3.3 tt -91.5 99.91 12.76 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.55 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 46.4 mtt -128.84 149.79 50.6 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.9 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.9 mtt -129.86 118.83 22.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.483 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.568 ' HE2' ' HG2' ' A' ' 134' ' ' GLU . 97.8 m-85 -90.0 101.99 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.51 HG23 HD11 ' A' ' 122' ' ' LEU . 25.0 t -94.23 101.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.421 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.445 ' HB ' ' HG3' ' A' ' 130' ' ' GLU . 36.8 m -82.92 110.04 17.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 109.923 177.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG12 HG22 ' A' ' 80' ' ' ILE . 45.3 t -102.03 -54.34 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.622 -172.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.647 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 52.8 p -79.69 -59.75 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.328 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.15 3.25 89.59 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.404 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 44.8 p30 -127.42 169.19 12.84 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.898 0.479 . . . . 0.0 109.774 177.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.01 -18.58 62.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.846 2.364 . . . . 0.0 112.571 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.411 HG21 ' HD3' ' A' ' 75' ' ' LYS . 32.5 m -62.77 95.23 0.07 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.458 0.647 . . . . 0.0 111.038 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.13 -15.75 62.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 3.5 mptp? -59.93 -39.52 85.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.453 -175.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.647 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 18.5 mm-40 -63.52 -55.04 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 t -63.52 -39.0 93.29 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.552 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -60.81 -52.74 63.79 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.294 0.568 . . . . 0.0 110.709 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 6.5 mm-40 -62.35 -49.13 76.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.304 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.512 HG22 HG12 ' A' ' 68' ' ' VAL . 9.9 tp -66.05 -37.23 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.831 -176.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 78.7 m -66.2 -41.71 89.81 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.466 ' HA ' HE21 ' A' ' 85' ' ' GLN . 5.0 p -63.97 -41.48 97.53 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.737 0.304 . . . . 0.0 110.579 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt -59.25 -47.04 86.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 110.534 175.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.438 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.6 m0 -63.77 -41.49 97.95 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.13 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.466 HE21 ' HA ' ' A' ' 82' ' ' SER . 47.6 mt-30 -54.93 -47.99 73.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 109.989 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.12 -49.8 72.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.063 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.0 m -63.78 -46.52 84.86 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.451 HD11 HG22 ' A' ' 95' ' ' VAL . 95.3 mt -62.25 -49.7 74.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 -175.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -73.38 -19.88 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -72.67 -40.66 66.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.861 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.48 -2.99 55.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.125 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 62.99 82.55 0.18 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -118.88 154.76 32.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.014 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.492 ' HB3' ' HE ' ' A' ' 110' ' ' ARG . 20.0 m-20 -95.94 78.79 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.323 0.582 . . . . 0.0 109.624 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.451 HG22 HD11 ' A' ' 88' ' ' LEU . 26.8 m -125.71 146.95 30.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.602 -173.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.524 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 52.0 mt-30 -113.45 158.99 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 170.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.565 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.6 138.02 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.622 0.248 . . . . 0.0 110.983 -173.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -141.52 132.51 26.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.975 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.8 tt -99.15 108.62 22.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.408 0.623 . . . . 0.0 110.486 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.26 129.77 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.528 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.73 102.33 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -172.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.5 m -48.36 -24.39 1.21 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.69 -38.63 89.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.964 0.411 . . . . 0.0 111.757 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.433 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -136.57 178.71 6.86 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.677 0.751 . . . . 0.0 112.584 -168.104 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.36 145.75 32.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.029 171.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.8 tt -111.16 133.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.27 143.39 40.52 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.403 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.538 ' HG2' ' HG2' ' A' ' 63' ' ' MET . 64.2 mtt -125.0 121.3 34.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.508 ' O ' ' HB3' ' A' ' 60' ' ' LYS . 66.3 mt -90.33 145.62 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.492 ' HE ' ' HB3' ' A' ' 94' ' ' ASP . 27.6 mtm105 -95.43 5.53 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 109.918 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.21 -166.64 1.91 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.404 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.13 29.12 1.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.689 -0.565 . . . . 0.0 111.689 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 m -101.2 -68.69 0.8 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -84.92 22.12 1.45 Allowed 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.193 -0.317 . . . . 0.0 111.386 -173.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.27 68.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.617 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -27.74 63.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.288 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.26 -44.7 58.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.568 0.223 . . . . 0.0 110.425 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.7 tt -68.64 -39.49 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.516 ' HE2' ' HB ' ' A' ' 131' ' ' VAL . 10.0 tmtt? -56.72 -47.29 80.29 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 123' ' ' VAL . 15.9 t70 -61.76 -45.38 94.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.173 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -55.54 -40.32 71.72 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.804 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 89.3 mt -71.27 -44.86 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.134 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' A' ' 120' ' ' ASP . 14.6 p -73.94 -24.47 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.8 m -68.7 -4.28 15.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.408 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.516 ' HG3' ' H ' ' A' ' 127' ' ' ARG . 7.7 tp-100 -59.29 135.54 57.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.051 174.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.92 -29.74 56.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.692 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.516 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 10.4 mpt_? -73.22 -4.72 34.79 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.73 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 42.0 t 58.7 36.69 25.06 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.118 0.485 . . . . 0.0 110.694 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.43 130.98 48.7 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.445 ' HG3' ' HB ' ' A' ' 67' ' ' THR . 10.8 pt-20 -81.07 118.8 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.516 ' HB ' ' HE2' ' A' ' 119' ' ' LYS . 46.8 t -101.5 103.45 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.049 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.0 m -97.64 136.97 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.72 154.08 21.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.584 0.231 . . . . 0.0 110.469 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.568 ' HG2' ' HE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -69.79 87.38 0.52 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.15 173.65 49.82 Favored Glycine 0 C--O 1.237 0.289 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.323 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.02 76.83 0.49 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.18 0.514 . . . . 0.0 109.87 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 43.5 ttp -84.37 -44.0 14.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.708 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.715 ' HB2' ' HD3' ' A' ' 139' ' ' PRO . 83.7 m-85 -138.67 -60.39 0.02 OUTLIER Pre-proline 0 N--CA 1.47 0.56 0 CA-C-O 119.43 -0.319 . . . . 0.0 111.676 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.715 ' HD3' ' HB2' ' A' ' 138' ' ' TYR . 81.6 Cg_endo -94.08 9.82 2.06 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.545 2.163 . . . . 0.0 113.227 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.85 -176.92 36.7 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.035 -175.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.416 178.453 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -77.46 64.15 2.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 110.282 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 pt -75.06 -25.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.404 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -57.44 -49.97 74.55 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.961 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.27 -40.67 91.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.607 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 15.0 t80 -60.19 -49.98 75.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 11' ' ' MET . 49.7 m-80 -64.19 -51.47 63.59 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.581 ' O ' ' HB1' ' A' ' 12' ' ' ALA . 22.7 t70 -52.48 -71.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.414 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.6 -70.86 0.07 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.73 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.4 m-20 -61.5 -65.37 0.7 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.359 -173.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.625 ' HE1' ' HA ' ' A' ' 11' ' ' MET . 24.1 mmt -68.18 -42.7 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.256 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 8' ' ' ASP . . . -73.48 -45.03 56.48 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.758 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -68.71 -23.17 64.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.933 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 57.6 mt -71.99 -48.6 43.68 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.13 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.17 -7.52 58.98 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 52.7 mm-40 -48.62 -41.92 32.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 111.236 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -61.62 -38.0 86.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.989 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -70.74 -43.32 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.719 -176.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.26 -34.79 76.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.396 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.4 tttt -65.07 -48.72 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.2 -40.45 96.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.203 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.32 -38.84 84.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.986 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.61 -33.35 72.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.902 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 20' ' ' LYS . 79.8 mt -72.03 -38.3 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.515 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.91 -66.84 0.79 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.047 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -109.98 135.23 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.837 -176.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.44 39.39 5.98 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.873 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.28 162.48 26.49 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.428 HD13 ' HD2' ' A' ' 30' ' ' PRO . 35.1 tp -108.1 110.21 62.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.428 ' HD2' HD13 ' A' ' 29' ' ' LEU . 56.8 Cg_endo -69.31 73.64 1.14 Allowed 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.679 2.252 . . . . 0.0 112.836 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -76.79 -40.26 48.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -124.01 118.45 27.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.17 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -97.28 155.79 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.32 0.581 . . . . 0.0 111.732 -174.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.78 100.63 49.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.84 -60.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.435 2.09 . . . . 0.0 113.614 -172.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 m -86.12 109.7 19.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.912 0.387 . . . . 0.0 111.2 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.2 -50.72 1.13 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.624 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.03 44.63 1.51 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.478 2.118 . . . . 0.0 113.035 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.2 pt -54.37 -33.39 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.592 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' O ' HD13 ' A' ' 44' ' ' LEU . 33.1 t70 -54.31 -52.06 62.69 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.604 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.49 -31.55 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.944 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 m -73.89 -33.45 64.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -82.26 -44.02 16.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 40' ' ' ASP . 9.8 mp -69.21 -40.24 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.076 176.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.6 t70 50.97 72.37 1.25 Allowed Pre-proline 0 N--CA 1.467 0.397 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.113 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -91.74 -7.54 3.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.754 2.303 . . . . 0.0 112.879 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.15 -67.03 1.82 Allowed Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.66 114.8 65.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.425 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.6 Cg_exo -56.49 -18.68 26.3 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.97 2.447 . . . . 0.0 112.639 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -76.82 -27.4 55.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.93 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -57.65 -44.43 85.64 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 49' ' ' PRO . 33.3 pt -62.07 -35.81 70.68 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.311 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.84 -36.86 78.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.593 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -70.08 -35.07 73.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.275 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.413 ' HE2' HG21 ' A' ' 52' ' ' ILE . 25.2 ptt? -90.72 -20.66 22.19 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.8 m -99.12 99.9 10.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.445 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -145.33 156.15 43.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -87.61 160.37 18.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.409 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.37 36.49 2.46 Favored Glycine 0 C--O 1.234 0.152 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.738 ' HZ2' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -141.03 98.73 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.143 0.497 . . . . 0.0 110.261 -178.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -109.76 30.84 6.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.855 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 109' ' ' LEU . 2.1 tt -78.56 99.38 6.49 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -173.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.3 mtm -127.18 138.53 53.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.245 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.483 ' HB3' HG21 ' A' ' 131' ' ' VAL . 62.7 mtt -119.77 116.97 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.669 0.271 . . . . 0.0 110.858 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.66 98.64 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 122' ' ' LEU . 13.4 t -89.92 106.32 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.018 -174.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.9 m -75.97 102.59 5.67 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.558 HG11 HG23 ' A' ' 80' ' ' ILE . 21.5 t -102.0 -62.34 2.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.058 0.456 . . . . 0.0 112.006 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -92.33 -55.18 3.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.127 -169.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.551 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 65.52 30.49 77.62 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.481 -173.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -116.97 165.47 15.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 122.736 0.414 . . . . 0.0 111.01 -171.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.7 -44.24 3.14 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.543 2.162 . . . . 0.0 112.242 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.591 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 7.0 p -73.83 91.4 1.95 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.415 0.626 . . . . 0.0 111.458 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.719 ' HG2' ' HB3' ' A' ' 102' ' ' SER . 32.7 mt-10 -55.49 -25.92 39.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.591 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.7 ptmm? -44.1 -46.88 8.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.479 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 42.7 mt-10 -65.03 -39.45 93.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.949 -173.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.6 m -65.47 -45.7 82.66 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.79 -52.45 65.0 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.254 0.549 . . . . 0.0 110.466 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 41.8 mt-10 -62.96 -47.68 82.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.435 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.558 HG23 HG11 ' A' ' 68' ' ' VAL . 9.8 tp -62.06 -38.62 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.6 m -63.83 -34.55 78.17 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.839 0.352 . . . . 0.0 110.421 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m -66.47 -41.34 89.16 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.544 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.01 -48.78 80.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.505 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 27.7 m0 -60.87 -42.88 98.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.651 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.424 ' HG3' ' HD2' ' A' ' 97' ' ' ARG . 29.3 tt0 -52.59 -55.67 20.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.37 -53.92 42.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.104 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.9 m -54.99 -46.74 75.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.07 -43.69 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.26 -25.27 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.041 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -21.26 63.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.075 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 14.83 30.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.491 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.1 m120 67.37 19.78 10.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.872 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -92.06 81.82 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.545 ' HB2' HH11 ' A' ' 110' ' ' ARG . 4.6 m-20 -69.54 77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.176 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -87.61 151.27 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.816 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.449 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 17.2 mm100 -99.8 101.12 12.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.51 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -116.25 131.44 56.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.978 -170.034 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -138.44 159.04 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.365 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -101.9 89.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.666 0.746 . . . . 0.0 110.443 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 100' ' ' VAL . 24.3 m -115.16 112.44 39.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.001 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.78 103.95 2.65 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -169.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.719 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 16.3 m -48.71 -23.8 1.17 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.551 ' HB2' ' HA2' ' A' ' 70' ' ' GLY . 8.7 p-10 -100.41 -17.87 17.0 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -176.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.62 140.87 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.191 0.52 . . . . 0.0 111.932 -171.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.16 171.57 7.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.572 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 10.2 tt -126.63 131.36 71.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.751 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -122.0 109.87 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.449 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.5 ttp -93.41 129.61 39.5 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.553 HD23 HD22 ' A' ' 62' ' ' LEU . 4.0 mm? -94.31 153.12 18.17 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.197 0.522 . . . . 0.0 111.572 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.545 HH11 ' HB2' ' A' ' 94' ' ' ASP . 46.5 mtm180 -79.55 -52.75 7.61 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -105.63 -167.14 1.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.723 -174.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -138.23 21.7 3.11 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.288 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -87.07 -68.31 0.76 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.761 0.315 . . . . 0.0 110.713 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -89.78 12.52 16.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.716 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.444 ' O ' ' HE3' ' A' ' 64' ' ' MET . . . -51.21 -38.86 54.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.825 178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' A' ' 119' ' ' LYS . 8.1 m95 -69.57 -36.05 75.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.481 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.71 -37.99 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 109' ' ' LEU . 15.0 tt -68.87 -34.65 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 116' ' ' TRP . 22.0 ttpp -53.74 -53.12 56.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.832 170.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.593 ' HA ' HG12 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -58.89 -45.06 91.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.929 178.221 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -51.79 -46.11 64.07 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.058 0.456 . . . . 0.0 110.673 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 66' ' ' VAL . 74.7 mt -65.29 -49.79 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.219 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 120' ' ' ASP . 7.7 p -74.08 -15.79 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.448 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 72.1 m -64.92 -10.84 31.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.219 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.505 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 13.0 mm-40 -54.19 140.54 32.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.67 -36.13 75.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -81.15 6.68 13.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.317 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.1 m 59.77 81.41 0.17 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.616 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.07 97.19 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.105 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.36 129.02 34.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.05 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 64' ' ' MET . 5.3 p -117.52 128.69 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.09 -171.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.7 m -94.19 105.4 17.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.341 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 pp -93.21 152.19 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 111.612 -176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -121.03 142.57 49.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.513 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 166.69 148.62 5.65 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -80.38 -19.96 45.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.161 0.505 . . . . 0.0 109.871 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 52.3 ttp -87.17 102.77 14.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.112 177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -110.17 125.16 31.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.73 96.21 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.45 2.1 . . . . 0.0 112.415 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 107.29 129.9 6.27 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.33 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.135 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.963 -0.455 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 55.11 34.38 22.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.772 0.429 . . . . 0.0 111.131 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 pt -61.19 -31.5 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.869 -174.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -63.19 -41.74 99.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.041 0.448 . . . . 0.0 110.011 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.15 -44.85 78.74 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.319 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -59.58 -47.5 85.32 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.782 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.0 m-20 -61.48 -52.05 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.92 -65.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -56.45 19.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.115 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.02 -45.88 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.657 -172.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.679 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 27.0 mmt -64.6 -38.29 90.51 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.854 178.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.84 -47.21 83.34 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -55.44 -42.64 74.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.321 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.35 -43.2 98.38 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.602 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 11' ' ' MET . 10.9 mp -74.46 -18.88 60.57 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.671 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 58.5 mt-10 -58.17 -25.93 62.11 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -60.28 -50.74 72.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.341 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -68.04 -41.64 81.79 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.632 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.25 -53.79 38.95 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.038 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -58.73 -41.14 85.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.263 -179.139 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.38 -49.7 76.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.277 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.84 -31.75 68.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.883 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.87 -45.26 28.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.948 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.609 HG12 ' O ' ' A' ' 20' ' ' LYS . 23.4 pt -76.67 -30.5 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.462 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.21 -23.14 20.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.158 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 63.86 97.63 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.858 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.16 87.76 1.0 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.692 -0.685 . . . . 0.0 113.04 173.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.83 101.87 8.77 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.991 0.424 . . . . 0.0 109.979 173.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 mp -94.52 138.75 22.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.78 176.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.41 150.64 86.81 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.438 2.092 . . . . 0.0 111.716 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -69.8 -23.12 63.28 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.696 0.76 . . . . 0.0 109.786 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -96.2 129.13 43.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.6 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -69.84 126.5 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.755 -176.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 3.2 ppt_? -76.89 143.02 70.22 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.173 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -62.27 -56.52 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.555 2.17 . . . . 0.0 111.808 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.5 p -130.47 144.44 51.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.167 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.552 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -76.08 -48.81 3.4 Favored Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 123.299 0.375 . . . . 0.0 111.648 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 82.3 Cg_endo -93.4 83.95 0.18 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.397 2.065 . . . . 0.0 112.104 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 39' ' ' ILE . 2.9 mp -62.76 -47.94 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.413 -177.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.32 -62.82 1.39 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.423 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.39 -38.21 88.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.489 -175.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 t -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.243 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -84.74 -43.33 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.326 . . . . 0.0 110.855 -174.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.48 -35.72 34.41 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.292 -178.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t70 60.52 90.97 0.08 OUTLIER Pre-proline 0 C--O 1.236 0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.096 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.5 156.43 64.05 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.589 2.193 . . . . 0.0 112.118 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.06 -0.91 10.77 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.348 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -79.47 108.6 9.11 Favored Pre-proline 0 CA--C 1.536 0.442 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -108.24 40.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 124.027 3.151 . . . . 0.0 114.433 -172.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.57 79.55 0.58 Allowed 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.158 0.504 . . . . 0.0 109.952 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.546 ' O ' ' HG3' ' A' ' 55' ' ' MET . 38.2 t -52.62 -54.3 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.882 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.49 HD13 ' N ' ' A' ' 53' ' ' LEU . 2.8 pp -62.16 -35.97 71.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.681 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.49 ' N ' HD13 ' A' ' 52' ' ' ILE . 60.2 mt -70.54 -28.14 64.7 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.65 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -84.0 -46.46 12.01 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -106.99 -18.17 13.98 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -169.31 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 52' ' ' ILE . 29.1 m -87.23 106.47 17.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.356 0.526 . . . . 0.0 110.63 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HB3' ' HD3' ' A' ' 60' ' ' LYS . 85.2 tttt -89.59 146.24 24.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.01 143.38 57.99 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.363 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.41 ' O ' ' HD3' ' A' ' 110' ' ' ARG . . . 84.5 26.15 40.26 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.119 -0.563 . . . . 0.0 112.256 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.642 ' HE3' ' SD ' ' A' ' 108' ' ' MET . 59.0 mtpt -135.65 99.69 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.1 t -99.27 -30.32 12.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.675 0.274 . . . . 0.0 110.472 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -150.94 153.16 34.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.741 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -138.59 129.26 26.35 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.614 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 61.9 mtt -118.28 143.18 46.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.456 -176.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 124.51 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.725 HG21 HD13 ' A' ' 122' ' ' LEU . 43.3 t -116.3 113.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.081 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -77.08 108.45 10.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.575 ' HB ' HG23 ' A' ' 80' ' ' ILE . 30.2 m -100.89 -45.74 11.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.157 -168.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB2' ' OD1' ' A' ' 71' ' ' ASN . 55.9 p -92.02 -61.83 1.54 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.17 0.509 . . . . 0.0 110.477 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.73 -10.31 75.14 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -173.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.455 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 14.4 p-10 -127.08 158.16 69.84 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 123.375 0.67 . . . . 0.0 109.617 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.39 -18.96 67.01 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.25 2.633 . . . . 0.0 113.616 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.427 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 69.8 p -48.55 125.82 10.52 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.511 0.324 . . . . 0.0 111.686 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.146 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.541 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -63.03 -59.52 4.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.329 -172.077 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -51.21 -55.39 18.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.067 -177.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -64.27 -37.48 87.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.969 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.6 -55.99 27.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.557 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.69 -46.33 88.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.339 -174.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.575 HG23 ' HB ' ' A' ' 68' ' ' VAL . 11.0 tp -71.67 -42.01 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.317 -176.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 m -68.78 -34.38 75.45 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.747 0.308 . . . . 0.0 110.412 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.1 t -67.77 -39.99 84.06 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.74 -53.39 58.35 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.466 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.472 ' CZ2' ' HG3' ' A' ' 125' ' ' GLN . 26.6 m0 -65.09 -38.76 91.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -54.91 -39.93 69.3 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.21 -49.28 5.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.04 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 t -54.94 -49.79 70.47 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.822 0.449 . . . . 0.0 111.862 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.588 HD12 HG23 ' A' ' 95' ' ' VAL . 97.2 mt -61.59 -32.88 73.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.882 0.373 . . . . 0.0 110.864 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -88.72 -9.69 51.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -80.83 -44.72 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.57 -12.04 59.99 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.323 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.83 78.47 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.482 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -124.68 130.59 52.7 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.9 91.08 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.343 0.592 . . . . 0.0 110.245 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.588 HG23 HD12 ' A' ' 88' ' ' LEU . 36.0 m -136.94 153.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.358 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.637 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 14.9 mm100 -101.51 110.08 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.697 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -111.8 121.29 44.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -177.118 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.4 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 98.4 m-85 -136.03 142.25 44.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.461 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 tt -96.22 90.78 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.464 0.649 . . . . 0.0 110.196 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.27 128.74 76.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.587 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.44 101.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.1 p -55.03 -15.62 2.22 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -171.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.92 -29.04 62.82 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.213 0.53 . . . . 0.0 110.822 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.53 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -142.11 -175.54 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.253 0.549 . . . . 0.0 111.816 -170.438 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.54 152.21 45.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.09 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.41 137.48 45.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.97 0.414 . . . . 0.0 111.007 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -127.76 106.91 9.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.335 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.642 ' SD ' ' HE3' ' A' ' 60' ' ' LYS . 68.3 mtm -95.64 114.94 26.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.6 mt -78.48 129.52 34.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.348 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 59' ' ' GLY . 21.8 mmt180 -74.48 -44.59 50.78 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 170.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -116.28 131.57 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.373 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.41 3.94 69.44 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.464 -173.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -73.62 -28.28 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.16 0.48 . . . . 0.0 110.587 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -95.05 16.18 16.97 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.579 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.442 ' O ' HG21 ' A' ' 118' ' ' ILE . . . -56.65 -59.26 5.26 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -173.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.02 -36.25 81.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -176.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -62.41 -45.15 94.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.564 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 15.0 tt -69.84 -35.31 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.166 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.653 ' HB3' ' HZ2' ' A' ' 119' ' ' LYS . 10.4 mtpm? -52.98 -54.65 31.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.951 0.405 . . . . 0.0 110.157 174.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.562 ' HA ' HG11 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -60.25 -44.43 95.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.796 178.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -54.0 -40.64 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 0.0 110.86 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.725 HD13 HG21 ' A' ' 66' ' ' VAL . 80.6 mt -74.97 -44.09 50.31 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.17 -178.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.562 HG11 ' HA ' ' A' ' 120' ' ' ASP . 7.1 p -79.12 -13.96 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.306 . . . . 0.0 111.762 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.9 m -74.6 -4.51 37.55 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 122.245 -0.284 . . . . 0.0 111.345 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.472 ' HG3' ' CZ2' ' A' ' 84' ' ' TRP . 17.7 mm-40 -69.4 143.5 53.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.86 -22.11 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.75 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -55.79 -23.81 32.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.827 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.1 t 60.12 43.16 14.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.695 0.76 . . . . 0.0 109.177 -173.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.83 135.86 48.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.846 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 6.7 mm-40 -81.2 112.65 18.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.08 118.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.186 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.9 p -132.17 148.39 52.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.768 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.614 ' HG ' ' HG2' ' A' ' 64' ' ' MET . 5.4 mp -100.75 132.32 46.21 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.37 118.64 30.87 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 159.08 -162.55 32.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -80.79 -23.26 39.41 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.571 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.3 OUTLIER -104.37 124.4 49.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.639 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.5 ' CD1' ' HD2' ' A' ' 139' ' ' PRO . 54.5 t80 -154.2 135.5 8.83 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.251 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.5 ' HD2' ' CD1' ' A' ' 138' ' ' TYR . 19.1 Cg_endo -58.0 140.86 95.44 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.93 2.42 . . . . 0.0 112.409 178.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 145.12 107.9 0.57 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.206 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.627 175.811 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.091 -0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 -53.1 61.7 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.242 0.544 . . . . 0.0 110.203 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -88.36 48.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.797 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 4' ' ' ARG . 3.4 tmt_? -50.74 -43.97 58.3 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.955 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -59.69 -47.02 87.28 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -64.12 -46.1 85.68 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.144 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 11' ' ' MET . 95.3 m-20 -53.99 -65.23 0.61 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.196 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -50.42 -67.58 0.24 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.659 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.72 -70.43 0.09 Allowed 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.116 0.484 . . . . 0.0 111.155 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' O ' HD12 ' A' ' 14' ' ' LEU . 26.8 t70 -70.12 -58.02 4.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.143 -172.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.507 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 tpp -66.06 -35.94 81.89 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.919 -170.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 8' ' ' ASP . . . -74.52 -33.02 62.69 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.556 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -61.95 -44.22 97.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.814 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 10' ' ' ASP . 11.2 mp -64.31 -52.86 56.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.2 mt -78.44 -6.05 54.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.812 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -52.6 -30.11 29.5 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.06 -43.26 77.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -78.42 -42.22 30.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.837 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.21 -53.32 59.14 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.269 0.557 . . . . 0.0 109.584 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.483 ' O ' HG13 ' A' ' 24' ' ' ILE . 24.3 ttmm -56.51 -43.72 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.215 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 27.8 t70 -51.63 -54.63 25.75 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.693 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.97 -37.96 84.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -69.33 -21.1 63.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.148 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.3 mt -86.92 -37.53 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.0 109.917 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 20.8 mm-40 -61.96 -30.52 70.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.41 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.617 ' HG2' ' H ' ' A' ' 28' ' ' ASP . 41.6 tt0 -155.34 -95.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.564 173.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.69 17.83 36.01 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.176 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.617 ' H ' ' HG2' ' A' ' 26' ' ' GLU . 17.1 m-20 -94.06 151.86 19.21 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.53 0.332 . . . . 0.0 111.123 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mp -93.53 145.23 29.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.322 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.82 6.84 1.49 Allowed 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 122.713 2.276 . . . . 0.0 113.099 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.34 -17.46 49.06 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -178.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -118.48 137.64 53.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.094 0.473 . . . . 0.0 111.088 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -113.14 -179.75 3.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.297 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -70.98 148.74 94.65 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.45 -20.43 68.43 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.937 2.425 . . . . 0.0 112.84 -176.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 m -130.12 107.97 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.521 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 -50.92 0.28 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.521 ' HD3' ' HB2' ' A' ' 37' ' ' ALA . 64.9 Cg_exo -51.58 102.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.496 2.13 . . . . 0.0 112.8 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.02 -47.32 93.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.747 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' HD12 ' A' ' 44' ' ' LEU . 8.9 p-10 -58.92 -45.13 91.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 56.7 m-85 -59.88 -47.03 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.454 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.8 t -61.92 -28.88 69.84 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -84.39 -28.42 26.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 40' ' ' ASP . 10.8 mp -93.51 -8.25 41.97 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.501 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' HE2' ' A' ' 48' ' ' LYS . 61.1 m-20 63.9 91.78 0.07 OUTLIER Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 122.968 0.507 . . . . 0.0 111.518 177.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -94.64 -175.02 0.37 Allowed 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 123.254 2.636 . . . . 0.0 112.197 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.61 5.64 60.04 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.398 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HE2' ' O ' ' A' ' 45' ' ' ASP . 4.2 mptp? -70.33 128.85 90.99 Favored Pre-proline 0 N--CA 1.464 0.26 0 CA-C-N 116.971 0.386 . . . . 0.0 110.053 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.473 ' O ' HG13 ' A' ' 52' ' ' ILE . 47.5 Cg_exo -57.86 -5.14 1.74 Allowed 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.341 2.694 . . . . 0.0 113.77 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -73.11 -25.88 61.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.2 p -53.47 -54.9 30.44 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.861 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 49' ' ' PRO . 2.8 pp -62.58 -31.37 51.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.166 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 52' ' ' ILE . 4.6 tt -67.69 -40.19 84.38 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.604 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 4.5 ttmp? -75.38 -28.52 59.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.672 177.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 55.0 ttp -86.92 -21.64 26.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.886 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -78.48 136.78 37.68 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -150.41 156.34 41.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.654 -173.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -69.83 161.31 30.13 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.607 -179.45 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.59 66.77 0.59 Allowed Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -175.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.09 116.8 23.67 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 m -129.73 30.19 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.566 0.698 . . . . 0.0 109.715 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.55 152.08 30.33 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.694 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.627 ' SD ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -133.52 145.09 49.82 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.563 0.697 . . . . 0.0 112.147 -171.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.658 ' HE3' ' HB2' ' A' ' 119' ' ' LYS . 63.0 mtt -117.25 124.73 49.77 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.183 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -87.09 114.1 23.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 66' ' ' VAL . 29.8 m -111.42 107.54 23.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.191 0.52 . . . . 0.0 111.322 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 27.1 m -77.09 106.91 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.662 HG13 HG22 ' A' ' 80' ' ' ILE . 24.5 t -102.95 -60.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.277 0.561 . . . . 0.0 111.454 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 19.3 m -75.25 -57.28 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 -171.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.36 64.02 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.884 -174.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 69' ' ' SER . 1.8 p-10 -109.98 160.83 26.67 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.875 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 81.6 Cg_endo -78.3 -24.17 8.15 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.593 2.195 . . . . 0.0 112.95 -177.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.411 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 15.7 p -65.76 100.31 0.53 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.385 0.612 . . . . 0.0 110.482 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' O ' HG22 ' A' ' 77' ' ' THR . 42.9 tt0 -63.12 -26.1 68.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.6 -172.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.4 ptmt -42.91 -34.4 0.96 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.822 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.37 -52.59 25.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.514 ' HA ' HG21 ' A' ' 80' ' ' ILE . 15.3 t -64.41 -32.1 73.58 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.123 -178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.57 -52.32 66.06 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' O ' HD11 ' A' ' 83' ' ' LEU . 75.5 mm-40 -53.06 -62.46 1.64 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.161 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.662 HG22 HG13 ' A' ' 68' ' ' VAL . 10.3 tp -59.74 -38.44 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.685 -172.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.5 m -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -63.53 -47.71 80.51 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.671 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.424 HD11 ' O ' ' A' ' 79' ' ' GLU . 10.9 mp -60.89 -42.13 97.4 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.434 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 6.5 m0 -62.82 -57.18 11.77 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.71 -37.07 70.43 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.373 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.84 -32.77 78.33 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.358 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.423 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 23.3 t -86.59 -21.44 26.83 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.156 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 95.7 mt -89.54 -47.98 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.585 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.41 -23.19 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -175.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 32.8 p30 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.299 0.571 . . . . 0.0 109.818 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.07 9.63 38.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.115 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.515 ' N ' HD21 ' A' ' 92' ' ' ASN . 0.8 OUTLIER 72.58 19.15 4.19 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.663 177.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -78.15 95.58 4.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.447 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.34 89.57 5.55 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.357 0.599 . . . . 0.0 109.961 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.1 144.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.904 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -101.36 120.1 39.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 -177.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.646 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -118.27 131.34 56.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.966 -174.61 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -126.65 142.58 51.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.409 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 tt -95.35 99.66 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.508 0.671 . . . . 0.0 110.633 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 100' ' ' VAL . 17.1 m -128.62 111.27 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.358 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.69 103.99 1.86 Allowed Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.006 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.7 m -53.95 -13.85 0.87 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 8.2 p-10 -99.24 -3.53 34.02 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.811 0.338 . . . . 0.0 111.343 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -151.21 178.28 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.305 0.574 . . . . 0.0 111.968 -170.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.17 162.51 36.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.807 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.7 tt -123.33 127.57 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -112.21 106.66 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.094 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -78.34 122.26 25.53 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 168.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.5 mt -95.63 103.4 15.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.8 -39.64 56.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.952 -173.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -108.35 111.58 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.186 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.81 -3.79 90.42 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.691 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.4 m -54.17 -25.54 23.07 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.677 0.275 . . . . 0.0 111.129 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -130.91 28.69 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.829 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.11 -57.71 11.03 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.401 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -67.52 -26.55 66.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.088 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.43 -47.34 70.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.733 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.8 tt -70.87 -30.12 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.658 ' HB2' ' HE3' ' A' ' 64' ' ' MET . 1.1 tmmt? -60.17 -46.53 89.38 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.646 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -63.32 -38.14 89.98 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.117 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.65 -42.05 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.92 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -42.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 119' ' ' LYS . 84.3 t -67.41 -31.59 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 110.493 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -74.24 -22.67 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.49 ' NE2' HD11 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -63.78 126.72 28.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.106 0.479 . . . . 0.0 110.738 -177.584 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.63 -25.8 63.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.513 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.562 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 4.2 mmp_? -100.33 19.41 16.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.254 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 54.1 t -92.51 122.14 34.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.804 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 67' ' ' THR . . . -94.53 -55.46 3.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 111.044 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 37.6 mt-10 -140.6 138.09 34.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.615 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.91 125.87 67.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.4 m -128.29 109.95 11.94 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.221 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.441 HD22 ' HG2' ' A' ' 64' ' ' MET . 3.3 tm? -86.55 116.21 24.53 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.463 ' HB3' ' HE1' ' A' ' 63' ' ' MET . 35.2 tt0 -86.14 93.82 9.12 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.764 -176.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 151.98 142.66 3.54 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.012 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -107.6 18.97 20.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.527 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.583 ' HG2' ' HD1' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -77.47 -16.42 58.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.557 179.451 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.583 ' HD1' ' HG2' ' A' ' 137' ' ' MET . 16.0 m-85 -120.43 -56.82 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.452 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.401 ' HD2' ' H ' ' A' ' 138' ' ' TYR . 86.3 Cg_endo -84.6 172.01 9.38 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.969 1.779 . . . . 0.0 112.273 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 96.81 -146.45 18.29 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.249 -0.5 . . . . 0.0 111.908 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.108 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.828 -0.509 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.86 -23.48 66.3 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.99 0.424 . . . . 0.0 111.227 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 tt -60.87 -15.91 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.417 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -52.88 -26.76 15.8 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.645 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -51.67 -51.87 52.45 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.356 -176.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.31 -35.34 58.87 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.896 -177.552 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' A' ' 11' ' ' MET . 42.5 m-80 -54.84 -60.99 2.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.09 -62.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.671 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.54 -63.28 1.22 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.879 0.371 . . . . 0.0 111.847 -174.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 1.8 m-20 -66.54 -52.78 41.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.873 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.437 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 46.1 ttm -65.05 -32.06 73.59 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.782 -172.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.36 67.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.838 0.351 . . . . 0.0 110.155 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.18 -34.26 66.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.196 179.401 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.01 -38.52 16.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.613 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -121.59 35.87 4.77 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -8.64 1.68 Allowed 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.379 -0.201 . . . . 0.0 111.38 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -52.06 -34.49 43.75 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 176.215 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -77.26 -42.96 35.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.481 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.51 -37.47 77.17 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.281 0.563 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.37 -47.47 79.15 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.733 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.18 -53.19 60.9 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.43 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -57.83 -47.5 82.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.43 -47.12 76.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 111.11 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -75.53 -53.19 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.529 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.22 -48.28 76.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.688 -174.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -69.57 -41.07 76.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.264 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.61 23.65 72.26 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.799 -178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -106.2 124.74 50.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.98 157.19 35.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.261 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.11 129.21 30.04 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.631 2.221 . . . . 0.0 112.177 176.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -18.78 60.46 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.194 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -76.23 166.16 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.278 173.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.777 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -75.3 126.99 32.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.123 -173.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 104.95 2.51 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.16 -57.01 1.46 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.225 2.617 . . . . 0.0 113.878 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -120.27 115.65 24.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 -175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.16 -50.59 0.54 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.34 28.64 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 122.456 2.104 . . . . 0.0 113.37 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.1 pt -62.19 -28.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.752 0.311 . . . . 0.0 110.729 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -68.16 -45.18 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.05 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -62.17 -34.27 76.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 0.0 109.809 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -73.26 -30.67 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.264 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.55 -47.3 76.33 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.616 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.56 -45.6 75.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 t70 61.17 92.31 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.399 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.229 -176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -41.08 -37.73 2.8 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.593 2.862 . . . . 0.0 113.74 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.16 -41.57 2.64 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.241 -0.504 . . . . 0.0 112.598 178.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -73.31 139.87 79.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -67.78 169.29 16.45 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.544 2.162 . . . . 0.0 112.332 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -73.06 67.83 0.91 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.206 0.527 . . . . 0.0 110.72 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.1 t -57.5 -34.89 69.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.277 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.5 pt -61.02 -42.32 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.715 177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.0 tp -68.06 -36.41 79.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.031 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.7 tmmm? -65.21 -41.11 94.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.5 ttp -75.97 -21.9 56.46 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.226 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.3 m -101.07 114.2 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.22 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 mttp -88.74 108.61 19.58 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -101.5 162.41 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.86 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.71 -1.64 9.36 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.388 -0.434 . . . . 0.0 112.24 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -78.65 102.56 8.07 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.542 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.1 p -86.62 -23.64 25.64 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -165.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -109.33 101.7 10.67 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -174.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 63' ' ' MET . 1.1 pmm? -107.73 149.91 27.59 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.493 0.663 . . . . 0.0 110.983 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.429 ' HE2' HD23 ' A' ' 133' ' ' LEU . 66.1 mtt -129.38 153.99 47.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.327 -178.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -113.57 106.85 15.03 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG12 HG21 ' A' ' 131' ' ' VAL . 28.7 t -88.38 104.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.75 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -76.81 103.6 6.86 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.681 HG13 HG22 ' A' ' 80' ' ' ILE . 24.7 t -101.36 -62.53 2.0 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.568 -172.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.0 p -92.57 -61.5 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.266 -174.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.73 9.21 81.57 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.607 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 1.8 p-10 -126.81 163.24 42.43 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 123.219 0.608 . . . . 0.0 109.663 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.607 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 60.0 Cg_endo -70.19 -26.2 25.81 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.582 2.188 . . . . 0.0 114.015 -168.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.473 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 4.5 p -62.81 90.16 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.37 0.605 . . . . 0.0 111.0 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.45 -21.33 66.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.186 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -54.19 -48.29 71.15 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.5 -178.286 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.33 -45.62 92.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.981 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.8 m -64.01 -39.36 93.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -48.58 74.61 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.098 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.85 -54.39 46.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.855 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.681 HG22 HG13 ' A' ' 68' ' ' VAL . 10.8 tp -62.42 -36.96 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.789 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -30.04 68.01 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.693 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.5 m -68.84 -39.21 80.08 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.99 0.424 . . . . 0.0 109.912 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.74 -43.68 95.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.155 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -64.84 -37.98 89.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.501 176.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.485 ' HG2' HH11 ' A' ' 97' ' ' ARG . 0.6 OUTLIER -54.62 -56.43 19.12 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.6 -55.5 30.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.231 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -55.15 -52.92 61.75 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.423 0.289 . . . . 0.0 111.703 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 93' ' ' TYR . 94.0 mt -60.11 -47.5 85.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.646 0.26 . . . . 0.0 111.147 -176.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.09 -29.32 69.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 0.0 110.612 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.426 ' N ' HD21 ' A' ' 90' ' ' ASN . 0.9 OUTLIER -73.59 -19.54 60.85 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.063 0.458 . . . . 0.0 109.81 174.421 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.03 13.88 19.45 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.606 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 73.49 16.09 4.07 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.037 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 9.4 m-85 -75.73 121.56 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.723 0.296 . . . . 0.0 110.285 174.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -98.96 38.48 1.38 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.679 0.752 . . . . 0.0 109.481 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 m -87.06 170.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.764 -176.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.615 ' HB3' ' HB2' ' A' ' 108' ' ' MET . 6.7 tp-100 -117.17 153.2 33.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.485 HH11 ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -154.39 143.48 21.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.516 0.198 . . . . 0.0 110.899 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -141.56 150.07 41.61 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 tt -101.08 107.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.047 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.8 p -145.65 106.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.53 98.79 1.28 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -170.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 m -47.25 -30.48 3.07 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.69 -44.66 85.97 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.884 0.374 . . . . 0.0 111.777 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 ptp85 -134.85 137.61 43.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.145 -167.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.18 130.02 46.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.9 tt -93.43 119.79 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.972 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -111.13 118.23 35.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.384 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.615 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.0 mtt -94.7 106.52 18.5 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.006 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 118' ' ' ILE . 35.9 mt -93.69 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.102 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -63.84 -52.33 60.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.237 0.541 . . . . 0.0 110.453 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -164.13 -174.69 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.623 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.18 44.7 3.21 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.741 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 p -86.04 -70.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.89 23.5 12.76 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.661 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.24 -47.7 71.93 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.641 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -30.0 67.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.558 -178.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.61 -51.93 30.59 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.505 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.9 tt -65.56 -41.16 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.542 ' HG3' ' HB ' ' A' ' 131' ' ' VAL . 60.8 tttp -56.82 -45.14 82.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.037 176.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.14 -54.1 50.64 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.815 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -51.78 -49.14 63.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.456 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 87.6 mt -65.34 -37.6 87.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.236 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 119' ' ' LYS . 94.8 t -78.04 -22.03 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 110.808 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.7 m -70.36 -0.31 7.95 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.581 ' NE2' HD13 ' A' ' 80' ' ' ILE . 13.4 mm-40 -55.67 139.41 44.85 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.027 0.442 . . . . 0.0 110.701 176.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.64 -34.73 78.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.702 -174.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.64 4.95 19.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.08 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.0 t 70.27 155.51 0.14 Allowed 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.129 0.572 . . . . 0.0 111.344 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -170.85 -173.82 1.43 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.246 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.15 144.94 19.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.867 0.365 . . . . 0.0 110.244 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.542 ' HB ' ' HG3' ' A' ' 119' ' ' LYS . 43.2 t -121.87 110.25 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.871 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.1 p -95.28 147.13 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.429 HD23 ' HE2' ' A' ' 64' ' ' MET . 24.2 mt -93.56 141.31 28.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -177.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.5 75.52 4.05 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 175.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.27 -144.14 30.4 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.39 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.516 ' HB3' ' SD ' ' A' ' 137' ' ' MET . 2.6 mp0 60.39 -167.14 0.18 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.991 0.424 . . . . 0.0 111.309 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.516 ' SD ' ' HB3' ' A' ' 136' ' ' GLN . 0.0 OUTLIER -66.85 99.99 0.68 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.344 0.592 . . . . 0.0 110.759 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -101.52 138.06 19.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.11 -164.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.675 2.25 . . . . 0.0 112.126 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -65.87 -42.52 94.93 Favored Glycine 0 C--N 1.335 0.474 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 54.6 tttm . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.387 175.637 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.63 113.93 6.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.687 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.414 HD11 ' N ' ' A' ' 4' ' ' ARG . 2.7 pp -83.3 -14.0 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.294 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' N ' HD11 ' A' ' 3' ' ' ILE . 72.4 ttt180 -64.32 -37.3 87.03 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.554 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -50.02 -49.39 50.99 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.759 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.417 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -72.77 -41.0 65.5 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.148 -177.324 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' A' ' 11' ' ' MET . 34.5 m-80 -55.66 -63.36 1.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -47.83 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.166 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 -55.38 33.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.7 t70 -74.11 -45.46 48.9 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.536 -169.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.534 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 ttm -72.18 -38.68 69.04 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.579 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.8 95.48 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.636 -0.425 . . . . 0.0 109.963 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.0 ttp-105 -63.0 -35.52 80.49 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.06 -52.37 36.01 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.7 -10.48 59.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.264 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.37 -46.19 55.82 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.087 0.47 . . . . 0.0 110.204 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.606 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 49.4 mt-30 -59.78 -52.86 63.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -56.77 -41.32 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.25 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.15 -60.23 3.0 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.94 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.606 ' HE3' ' HA ' ' A' ' 17' ' ' GLN . 22.3 pttp -62.13 -45.16 94.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.11 -41.54 97.22 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.53 -45.37 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.4 -50.08 66.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.293 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.6 mt -61.82 -48.24 89.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.412 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.31 -42.45 79.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.628 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 54.88 99.77 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.121 0.486 . . . . 0.0 112.014 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.4 90.58 1.29 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.492 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -79.48 96.41 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.415 HD11 ' HD2' ' A' ' 30' ' ' PRO . 59.7 tp -141.46 111.72 6.46 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.87 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.415 ' HD2' HD11 ' A' ' 29' ' ' LEU . 55.7 Cg_endo -69.85 117.6 5.18 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.35 2.033 . . . . 0.0 112.02 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -78.83 -26.56 44.2 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.274 0.559 . . . . 0.0 110.562 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -118.57 132.87 56.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.034 -175.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.2 tttp -114.48 164.95 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.06 176.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.509 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -75.85 108.58 6.2 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.457 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 18.8 Cg_endo -58.32 -32.36 95.88 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.709 2.273 . . . . 0.0 112.812 -173.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -69.43 111.87 5.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -64.66 -51.63 57.28 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.743 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.505 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 93.0 Cg_endo -80.1 89.86 1.29 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.861 1.707 . . . . 0.0 111.141 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.02 -28.14 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.361 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.95 -42.99 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.426 ' HD1' ' HB2' ' A' ' 38' ' ' PRO . 82.6 m-85 -65.38 -32.38 73.99 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.949 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -76.08 -38.22 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.115 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -67.08 -46.46 74.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.727 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.56 -39.55 27.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t70 55.35 87.26 0.15 Allowed Pre-proline 0 N--CA 1.469 0.48 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.227 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.66 -173.29 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.217 2.611 . . . . 0.0 113.808 -169.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.73 -11.12 41.89 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.156 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 9.8 mptt -101.27 124.01 42.78 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.93 114.71 1.67 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.785 2.323 . . . . 0.0 112.394 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 58.72 29.57 18.81 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.551 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.535 ' HB3' ' HB3' ' A' ' 48' ' ' LYS . 23.0 p -57.97 -39.0 77.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.228 0.537 . . . . 0.0 110.333 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.811 HG13 HD13 ' A' ' 53' ' ' LEU . 19.3 pt -61.49 -39.1 81.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.562 176.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.811 HD13 HG13 ' A' ' 52' ' ' ILE . 8.5 mp -70.23 -26.45 63.86 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.149 0.5 . . . . 0.0 110.057 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -74.02 -33.53 63.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.644 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.416 ' SD ' ' C ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -88.13 -21.35 24.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 121.181 -0.207 . . . . 0.0 111.274 179.663 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 53' ' ' LEU . 22.7 p -70.78 115.78 10.32 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -92.41 133.6 35.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.656 -175.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -75.79 160.1 30.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.642 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.05 56.11 0.96 Allowed Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -171.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -79.61 99.73 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -78.72 30.61 0.19 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 109' ' ' LEU . 1.5 tm? -92.7 101.76 14.17 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 ptp -135.24 154.47 51.56 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.238 0.542 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.564 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 53.6 mtt -128.94 124.5 35.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.173 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -95.01 104.54 16.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 122' ' ' LEU . 16.7 t -100.53 108.44 23.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.72 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 t -79.34 101.1 7.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.292 0.568 . . . . 0.0 109.918 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.545 HG11 HG22 ' A' ' 80' ' ' ILE . 22.5 t -103.17 -44.36 9.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.542 -171.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.615 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 33.1 t -75.24 -71.0 0.39 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.37 10.11 40.46 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.752 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -125.88 127.79 24.69 Favored Pre-proline 0 C--O 1.234 0.261 0 C-N-CA 123.243 0.617 . . . . 0.0 109.799 -176.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -58.27 -23.5 62.85 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.85 2.367 . . . . 0.0 112.93 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -84.44 118.24 24.15 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.6 -10.48 35.91 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 15.3 ptmm? -44.8 -44.82 9.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.661 0.267 . . . . 0.0 111.681 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.62 -51.51 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.483 ' HA ' HG21 ' A' ' 80' ' ' ILE . 15.3 t -68.19 -33.76 75.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.74 -54.86 24.83 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 35.1 mm-40 -55.61 -53.3 58.13 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.965 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.545 HG22 HG11 ' A' ' 68' ' ' VAL . 9.9 tp -67.75 -42.72 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.674 -172.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.3 m -67.77 -38.19 83.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.397 0.141 . . . . 0.0 110.994 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.4 p -68.54 -49.41 59.76 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.741 0.305 . . . . 0.0 110.499 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.37 -44.78 89.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.473 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 5.6 m0 -61.45 -59.08 5.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -56.71 -36.72 70.0 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 110.626 -176.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.45 -49.79 58.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.576 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 t -57.56 -43.11 84.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.889 0.476 . . . . 0.0 110.968 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 82.5 mt -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.32 -20.14 55.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -33.72 73.85 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.1 -2.54 56.93 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.544 174.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.488 ' N ' HD21 ' A' ' 92' ' ' ASN . 0.9 OUTLIER 73.73 20.64 2.94 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.312 174.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -87.27 98.33 11.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -68.52 85.36 0.29 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.224 0.535 . . . . 0.0 111.079 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.22 160.03 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.892 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.68 145.23 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.61 139.75 23.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -137.03 156.56 48.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.1 tt -122.95 90.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.632 0.729 . . . . 0.0 110.391 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.434 ' O ' HG21 ' A' ' 100' ' ' VAL . 16.6 m -113.64 99.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.561 177.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' HA3' ' NH1' ' A' ' 104' ' ' ARG . . . 98.53 102.16 2.27 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.8 t -49.83 -18.08 0.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.615 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 23.0 t70 -73.29 -43.53 60.8 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.422 ' NH1' ' HA3' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -129.92 140.51 50.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.227 0.537 . . . . 0.0 112.139 -172.087 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.44 137.22 40.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.248 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.71 118.28 54.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -103.92 123.09 46.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.081 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 55.4 ttp -103.23 120.03 39.98 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' A' ' 62' ' ' LEU . 2.3 mm? -100.96 132.45 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.622 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -74.92 -28.01 60.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.312 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -121.14 148.9 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.525 -176.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.61 -5.75 33.66 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.718 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.7 t -73.25 -40.4 64.67 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.812 0.306 . . . . 0.0 110.243 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -83.39 -2.23 55.3 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.05 71.62 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.05 -41.53 67.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.649 0.262 . . . . 0.0 111.14 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -49.46 75.31 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 8.7 tp -67.36 -35.67 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.426 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -54.41 -53.59 52.03 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.07 0.462 . . . . 0.0 110.123 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.562 ' HA ' HG13 ' A' ' 123' ' ' VAL . 2.9 m-20 -64.5 -36.49 84.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.675 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.48 -48.74 79.79 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.62 HD13 HG21 ' A' ' 66' ' ' VAL . 90.5 mt -65.46 -48.92 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.325 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.562 HG13 ' HA ' ' A' ' 120' ' ' ASP . 12.3 p -70.36 -24.34 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.724 0.297 . . . . 0.0 111.267 -176.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -75.16 -3.11 30.97 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.096 -178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.494 ' NE2' HD12 ' A' ' 80' ' ' ILE . 6.6 tp-100 -60.56 147.68 40.73 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.364 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.94 -20.89 60.0 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -79.24 -16.42 56.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.438 0.161 . . . . 0.0 111.148 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.2 t 58.57 87.28 0.08 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.209 0.528 . . . . 0.0 110.14 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -110.2 135.96 50.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.844 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.76 118.35 22.8 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.981 0.419 . . . . 0.0 110.097 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.424 HG22 HG23 ' A' ' 66' ' ' VAL . 2.7 p -95.93 97.85 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.495 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.9 m -89.55 99.39 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.972 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.564 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 3.9 pp -90.85 153.78 19.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.99 87.53 0.14 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.952 0.406 . . . . 0.0 110.337 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -96.51 71.03 0.83 Allowed Glycine 0 C--N 1.33 0.203 0 CA-C-N 116.18 -0.463 . . . . 0.0 112.343 -177.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -72.06 -11.49 60.78 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -131.29 -91.82 0.42 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -175.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.578 ' HB3' ' HD3' ' A' ' 139' ' ' PRO . 72.9 t80 -64.98 -58.51 12.55 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -172.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 138' ' ' TYR . 4.7 Cg_exo -80.44 23.77 0.69 Allowed 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.477 2.118 . . . . 0.0 113.358 -170.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -160.36 119.88 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.073 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.741 172.847 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -168.74 159.66 9.96 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 122.894 0.478 . . . . 0.0 109.766 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 3' ' ' ILE . 3.2 mp -96.93 80.31 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -69.3 -30.96 69.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.82 -47.38 42.42 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.349 0.406 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.93 -48.19 80.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.246 175.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -60.23 -50.74 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -52.15 -64.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.384 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -55.72 20.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.703 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.53 -47.92 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.622 -173.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.721 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 16.6 mmt -65.87 -45.3 82.62 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.222 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.61 87.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.27 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.692 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 85.2 mtt180 -79.28 -12.24 59.95 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.163 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -71.99 -52.67 15.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.54 ' HA ' ' NE1' ' A' ' 18' ' ' TRP . 10.3 mp -64.06 -53.61 47.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.805 -177.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.692 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 10.4 pt-20 -61.28 -21.54 64.02 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 14.4 mm-40 -77.76 -55.74 5.08 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.279 -0.168 . . . . 0.0 111.365 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.54 ' NE1' ' HA ' ' A' ' 15' ' ' LEU . 55.2 p-90 -69.27 -22.31 63.83 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.749 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -66.35 -52.62 45.16 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.655 172.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -54.24 -45.37 72.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 109.998 177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.393 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.71 -18.82 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.764 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.48 -35.39 46.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 109.908 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pp -91.25 -15.32 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.817 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.05 -59.27 2.24 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.361 0.601 . . . . 0.0 109.983 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -99.65 -80.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.941 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.82 59.51 6.07 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.95 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.92 149.58 29.36 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.662 -177.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 29' ' ' LEU . 6.8 mp -92.72 120.79 67.06 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.59 76.98 0.53 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.453 2.102 . . . . 0.0 111.752 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -94.12 -15.8 24.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.701 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -69.85 108.15 3.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.616 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -91.92 -177.9 4.86 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.381 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.406 HH21 ' CG ' ' A' ' 40' ' ' ASP . 37.2 ttt85 -95.99 115.36 65.5 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.078 -175.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.86 -36.37 50.85 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.627 2.218 . . . . 0.0 112.566 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.088 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.708 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -111.18 -60.3 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.323 175.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.708 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 34.7 Cg_exo -60.14 -61.65 0.19 Allowed 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.923 1.748 . . . . 0.0 112.509 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.0 mp -58.97 -37.02 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' CG ' HH21 ' A' ' 34' ' ' ARG . 14.8 t70 -54.18 -71.27 0.08 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.878 -177.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.451 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 87.3 m-85 -56.15 -45.98 79.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.217 -177.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.8 m -60.04 -32.34 70.82 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -76.87 -39.9 49.43 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 110.213 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.26 -15.36 60.53 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.0 t0 64.05 87.45 0.13 Allowed Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.451 ' HG3' ' HB3' ' A' ' 41' ' ' PHE . 72.8 Cg_endo -85.84 115.03 1.45 Allowed 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.329 2.686 . . . . 0.0 113.687 -165.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.64 -13.67 6.41 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.757 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HZ2' ' HB3' ' A' ' 51' ' ' SER . 24.0 tttm -101.57 137.72 19.68 Favored Pre-proline 0 C--N 1.322 -0.613 0 C-N-CA 123.164 0.586 . . . . 0.0 109.572 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' SER . 74.5 Cg_exo -52.08 148.68 23.34 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.471 2.114 . . . . 0.0 111.645 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.541 ' HB2' ' HB3' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -58.52 73.71 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.399 0.619 . . . . 0.0 112.608 -176.552 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.573 ' HB3' ' HZ2' ' A' ' 48' ' ' LYS . 45.1 t -76.27 -42.33 45.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.287 -177.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.648 HD11 ' N ' ' A' ' 53' ' ' LEU . 2.6 pp -64.08 -40.9 90.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.005 0.431 . . . . 0.0 110.338 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.648 ' N ' HD11 ' A' ' 52' ' ' ILE . 6.7 tt -66.29 -41.55 89.63 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -65.75 -32.65 74.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.609 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -78.97 -23.2 44.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.403 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.9 m -68.71 127.61 33.68 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.57 ' HE2' ' HA ' ' A' ' 57' ' ' LYS . 11.1 mmpt? -89.39 123.2 33.33 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.466 ' HB2' ' HD3' ' A' ' 110' ' ' ARG . 16.6 ptpt -72.15 130.28 40.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.038 0.447 . . . . 0.0 110.483 -176.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.41 46.58 0.32 Allowed Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.639 ' HB2' ' HZ1' ' A' ' 60' ' ' LYS . 4.1 ttmp? -79.61 157.99 27.18 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -76.76 30.35 0.13 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -173.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 tp -99.4 118.77 36.76 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.951 -0.468 . . . . 0.0 109.912 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 ptp -140.04 139.65 36.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.245 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.441 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 62.6 mtt -116.54 118.44 32.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -87.86 102.58 14.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.575 HG23 HD11 ' A' ' 122' ' ' LEU . 21.3 t -103.85 102.89 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.67 0.271 . . . . 0.0 110.822 -177.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 35.1 m -73.23 98.88 2.72 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.983 0.42 . . . . 0.0 109.98 177.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.425 ' HB ' HD13 ' A' ' 80' ' ' ILE . 28.0 m -102.41 -37.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.522 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.741 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.8 t -66.05 -71.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -168.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.2 52.42 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.497 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -126.29 132.74 24.43 Favored Pre-proline 0 C--O 1.234 0.278 0 C-N-CA 123.224 0.609 . . . . 0.0 109.507 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.23 -39.75 87.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.971 2.447 . . . . 0.0 113.125 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.775 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -75.6 133.41 40.91 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.729 0.299 . . . . 0.0 111.077 -177.284 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.62 -19.73 62.58 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.979 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.775 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 56.9 pttt -47.17 -54.92 9.49 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' HG2' ' HG3' ' A' ' 75' ' ' LYS . 6.5 mm-40 -64.02 -50.86 66.81 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 111.243 -171.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 69' ' ' SER . 12.7 t -61.48 -36.72 81.24 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.416 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.23 -43.02 92.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 25.1 mm-40 -57.98 -62.12 2.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.706 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.425 HD13 ' HB ' ' A' ' 68' ' ' VAL . 15.2 tt -62.38 -40.38 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -66.89 -36.07 81.45 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.282 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.9 m -69.8 -40.0 76.24 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 110.484 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.2 -50.13 74.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.506 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.4 m0 -62.11 -45.02 95.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.791 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.43 ' HG3' ' HG3' ' A' ' 97' ' ' ARG . 51.9 tt0 -50.6 -48.07 57.93 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.856 0.36 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.68 -52.98 44.71 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.139 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -62.69 -33.09 74.37 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -174.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 79.7 mt -66.46 -47.7 72.3 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.891 0.377 . . . . 0.0 110.206 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -70.13 -26.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.546 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -27.76 65.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.18 0.514 . . . . 0.0 109.946 173.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.27 6.35 43.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.392 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 65.23 20.88 12.01 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.089 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.17 96.84 1.13 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -72.05 85.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.962 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.45 169.12 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.639 -174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.806 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 14.8 mm100 -105.65 100.89 10.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.186 173.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.43 ' HG3' ' HG3' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -91.2 120.57 32.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.283 -178.649 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.434 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 85.5 m-85 -141.86 161.26 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.862 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.9 tt -127.58 104.35 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.205 0.526 . . . . 0.0 110.731 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.8 106.57 20.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.19 102.64 1.86 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -168.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 m -44.06 -34.38 1.74 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -170.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.725 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 39.7 m-20 -76.0 -23.58 55.26 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -175.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 38.7 ptt180 -124.03 132.36 53.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 0.0 112.138 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.39 127.63 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 64' ' ' MET . 5.5 tt -99.49 114.36 37.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.305 0.574 . . . . 0.0 110.83 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.29 102.59 14.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.774 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.806 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 46.3 ttm -81.93 105.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.452 HD21 HD13 ' A' ' 118' ' ' ILE . 65.9 mt -78.91 120.41 23.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.862 -177.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.466 ' HD3' ' HB2' ' A' ' 58' ' ' LYS . 96.8 mtt180 -64.21 -18.03 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.077 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -161.19 164.89 30.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.8 9.3 27.74 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-O 119.657 -0.524 . . . . 0.0 114.328 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 m -60.3 -27.09 67.03 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 117.996 0.898 . . . . 0.0 111.292 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -112.77 16.68 19.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.49 70.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.565 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.481 ' HZ2' ' HB2' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -70.11 -29.41 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.429 -178.598 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.89 -48.71 52.23 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.878 0.371 . . . . 0.0 110.06 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.556 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.976 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.59 -45.89 81.13 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.65 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.891 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -52.23 -42.47 63.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.042 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.575 HD11 HG23 ' A' ' 66' ' ' VAL . 84.6 mt -65.42 -48.28 73.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.734 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 m -81.44 -3.44 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.876 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 m -60.28 -30.92 69.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.699 175.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -93.12 140.22 29.74 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.165 0.507 . . . . 0.0 110.352 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.92 0.22 21.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.505 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -92.53 7.28 43.87 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.44 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.42 112.28 23.84 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.32 -45.96 10.74 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 111.737 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.656 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 9.5 tp10 -145.28 146.79 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.205 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.497 HG22 HG22 ' A' ' 66' ' ' VAL . 3.9 p -148.16 103.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.268 0.556 . . . . 0.0 110.252 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -111.32 119.6 39.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.699 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.441 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.5 pp -99.13 138.15 36.64 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.933 0.397 . . . . 0.0 110.34 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -95.01 150.7 19.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.725 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 112.65 -50.61 0.76 Allowed Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.967 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? 59.78 107.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 122.936 0.494 . . . . 0.0 110.44 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 68.5 mtm -129.43 -67.41 0.77 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.486 ' N ' ' HD2' ' A' ' 139' ' ' PRO . 51.6 m-85 -84.58 -49.9 0.61 Allowed Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.471 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 138' ' ' TYR . 46.8 Cg_endo -66.98 134.8 35.51 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.986 1.791 . . . . 0.0 111.578 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 81.89 -136.04 15.21 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.253 178.091 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' OD2' ' HB2' ' A' ' 4' ' ' ARG . 29.2 t70 -129.42 90.22 2.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.152 0.501 . . . . 0.0 110.048 -175.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.1 pt -84.35 46.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.449 0.642 . . . . 0.0 110.555 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 2' ' ' ASP . 13.0 ttm180 -57.26 -28.26 62.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.787 -173.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.58 -47.27 76.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.42 . . . . 0.0 110.064 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.35 -45.47 84.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.529 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' MET . 15.9 m120 -53.3 -58.31 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.829 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.8 t70 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.333 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.5 -68.5 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.93 -54.22 29.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.688 -171.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.508 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -70.69 -41.65 71.73 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.833 -170.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.92 -37.03 70.13 Favored 'General case' 0 N--CA 1.461 0.08 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.634 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -66.78 -32.43 73.71 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.012 0.434 . . . . 0.0 110.1 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.2 tp -71.56 -41.79 68.65 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.85 -4.04 57.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.702 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -48.79 -50.55 33.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.801 0.334 . . . . 0.0 110.606 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 23.1 tm0? -61.36 -41.63 97.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -61.71 -42.04 98.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.71 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.12 -44.98 62.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.005 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -66.1 -35.24 79.97 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.259 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.51 -50.8 69.96 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.257 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 38.7 t70 -60.83 -40.62 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.925 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.93 -43.42 86.26 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.368 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 20' ' ' LYS . 81.5 mt -61.95 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -77.45 -7.76 56.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.98 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 43.6 mt-10 -76.13 -43.82 41.34 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 168.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.43 63.07 4.98 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.397 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.84 122.75 26.47 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.56 135.69 94.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.444 -178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.7 168.1 1.83 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.099 2.533 . . . . 0.0 112.713 -177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.1 -18.93 64.88 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.238 0.542 . . . . 0.0 110.678 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -118.39 156.09 29.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.731 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.568 ' O ' ' HD3' ' A' ' 35' ' ' PRO . 34.8 ttpt -71.27 172.12 9.89 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 4.2 tmm_? -100.81 100.23 12.2 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 122.125 0.17 . . . . 0.0 110.72 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 53.1 Cg_endo -92.31 -2.62 3.93 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.255 2.637 . . . . 0.0 112.783 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 p -79.78 113.79 18.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.575 -174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.562 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -92.29 -50.1 0.3 Allowed Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.562 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 4.4 Cg_exo -77.13 101.04 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.129 1.886 . . . . 0.0 111.702 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 40' ' ' ASP . 2.7 pp -68.1 -16.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.315 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.482 ' N ' HD11 ' A' ' 39' ' ' ILE . 16.8 t70 -47.62 -56.02 8.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.95 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.83 -33.43 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.968 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -77.12 -31.2 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.902 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HZ2' ' HB3' ' A' ' 43' ' ' LYS . 8.0 mtpm? -90.5 -34.41 15.57 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.608 0.242 . . . . 0.0 111.409 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -91.03 -38.86 12.54 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.111 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.1 t70 57.33 89.86 0.1 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 123.454 0.471 . . . . 0.0 110.595 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -72.31 -12.85 27.88 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.69 2.26 . . . . 0.0 112.583 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.14 5.12 58.1 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.837 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -98.5 110.47 56.86 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.454 ' O ' HG13 ' A' ' 52' ' ' ILE . 93.9 Cg_endo -79.8 43.77 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.036 2.491 . . . . 0.0 113.677 -171.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.68 -29.2 64.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.7 p -53.91 -53.74 48.43 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.404 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.595 ' O ' HG21 ' A' ' 56' ' ' THR . 2.7 pp -58.93 -42.01 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.485 ' N ' HD13 ' A' ' 52' ' ' ILE . 1.9 tt -65.77 -37.54 86.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.465 0.65 . . . . 0.0 109.375 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -72.3 -26.41 61.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.321 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -91.62 -21.98 20.52 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.252 -175.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.595 HG21 ' O ' ' A' ' 52' ' ' ILE . 32.2 p -52.32 116.62 2.33 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -89.77 136.78 32.84 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.797 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -91.4 160.38 15.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.26 0.57 20.63 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.888 -0.673 . . . . 0.0 113.222 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.704 ' HG3' ' SD ' ' A' ' 108' ' ' MET . 3.2 mptp? -110.51 98.77 7.89 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.034 0.417 . . . . 0.0 110.072 176.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.1 m -87.64 -32.36 19.3 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.291 0.567 . . . . 0.0 110.132 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.509 HD11 ' HE1' ' A' ' 138' ' ' TYR . 44.9 tp -162.43 137.15 6.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.917 177.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -135.62 147.63 48.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.3 mtt -129.82 122.21 28.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -86.97 104.86 16.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.522 HG22 HG11 ' A' ' 131' ' ' VAL . 22.1 t -98.61 104.79 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.345 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -85.82 104.97 15.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.469 0.652 . . . . 0.0 109.661 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.63 HG13 HG22 ' A' ' 80' ' ' ILE . 17.2 t -102.61 -58.82 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.604 -172.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.521 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.2 t -72.25 -70.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.719 -171.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.96 -4.51 45.71 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.668 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.515 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 59.7 t30 -111.48 133.75 21.37 Favored Pre-proline 0 C--O 1.234 0.281 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.515 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 80.2 Cg_exo -48.56 -19.66 2.14 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.358 2.705 . . . . 0.0 114.052 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.617 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 77.1 p -67.87 100.53 0.96 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.817 0.341 . . . . 0.0 110.614 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -57.8 -28.87 64.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.617 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.9 ptmm? -47.18 -43.97 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.454 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.74 -53.09 61.62 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.406 ' HA ' HG21 ' A' ' 80' ' ' ILE . 14.7 t -70.81 -37.47 73.24 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.72 -176.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.63 -51.34 65.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.074 0.464 . . . . 0.0 110.337 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 45.7 mt-10 -61.81 -46.79 87.99 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.094 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.63 HG22 HG13 ' A' ' 68' ' ' VAL . 11.3 tp -65.96 -39.6 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.978 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.7 m -64.22 -38.76 92.2 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.821 0.343 . . . . 0.0 110.539 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.8 m -63.92 -40.01 95.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.427 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.1 mt -60.72 -49.61 76.81 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.19 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -60.48 -40.96 93.19 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.679 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 89' ' ' PHE . 1.1 tm0? -52.24 -52.16 54.17 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.12 95.27 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.345 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 m -75.55 -20.4 58.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -94.91 -46.52 6.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.095 0.474 . . . . 0.0 110.691 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 86.0 m-85 -81.83 -2.69 51.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.958 -173.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -74.5 -27.48 60.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -103.64 14.68 30.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.698 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 44.35 63.54 1.62 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.669 -1.151 . . . . 0.0 113.267 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -87.89 109.18 19.59 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 4.5 m-20 -69.05 81.75 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.452 0.644 . . . . 0.0 110.737 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.7 m -131.61 156.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.875 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -115.14 140.76 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.161 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -135.38 131.5 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.692 -174.13 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -119.58 127.9 53.4 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 99' ' ' ILE . 8.3 tp -91.35 91.59 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.816 0.817 . . . . 0.0 110.155 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.17 137.47 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.247 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.07 103.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -51.89 -15.98 0.62 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.521 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.5 p-10 -100.31 -20.92 15.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 111.58 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -135.8 177.46 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.634 0.731 . . . . 0.0 112.329 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.6 138.63 23.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.09 172.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.9 tt -105.54 122.23 58.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.252 0.548 . . . . 0.0 111.23 -176.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -102.85 108.95 20.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.97 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.704 ' SD ' ' HG3' ' A' ' 60' ' ' LYS . 61.3 ttp -92.7 108.2 19.8 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.5 mt -84.6 134.97 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.294 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 94' ' ' ASP . 98.8 mtt180 -74.96 -20.4 59.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.117 0.484 . . . . 0.0 110.045 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -159.85 151.81 20.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.431 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.86 5.52 82.06 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.407 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -52.71 -36.61 57.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.466 0.306 . . . . 0.0 111.785 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -112.19 16.89 19.93 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 110.508 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.64 -57.69 11.82 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -172.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -62.93 -40.87 98.93 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.25 -47.14 80.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.322 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.641 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 14.2 tt -65.44 -35.44 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 123' ' ' VAL . 12.9 ttmm -54.89 -61.93 1.99 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.964 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -63.59 -30.81 71.87 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.225 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -57.14 -47.87 80.09 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 66.7 mt -66.54 -35.81 81.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.038 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 119' ' ' LYS . 61.0 t -70.02 -26.53 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.162 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.5 m -63.4 -10.21 15.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -70.15 149.23 47.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -62.63 -38.38 90.01 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.483 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 5.3 tpm_? -62.6 -29.09 70.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.2 t 65.78 120.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.687 0.617 . . . . 0.0 110.666 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.92 134.1 47.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -86.5 116.91 24.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.309 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.522 HG11 HG22 ' A' ' 66' ' ' VAL . 38.6 t -98.39 97.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.219 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.2 p -93.63 123.07 36.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 pp -97.61 158.31 15.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.549 0.214 . . . . 0.0 111.18 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.2 135.1 21.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.557 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.79 -135.82 19.76 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.951 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -157.41 94.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.716 ' HE2' ' HA ' ' A' ' 137' ' ' MET . 2.5 tpt 55.89 41.38 30.07 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.387 0.613 . . . . 0.0 109.909 -178.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.541 ' HA ' ' HD3' ' A' ' 141' ' ' LYS . 26.1 p90 -60.83 -30.2 6.6 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -171.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.527 ' HD3' ' CD1' ' A' ' 138' ' ' TYR . 52.7 Cg_exo -58.36 -19.29 42.51 Favored 'Trans proline' 0 C--N 1.367 1.524 0 C-N-CA 121.475 1.45 . . . . 0.0 112.509 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.82 -10.91 80.36 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.75 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.541 ' HD3' ' HA ' ' A' ' 138' ' ' TYR . 3.6 mptp? . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.763 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.431 -0.267 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.25 89.64 4.31 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.215 0.531 . . . . 0.0 110.357 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 3' ' ' ILE . 11.7 tt -152.26 14.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.05 0.928 . . . . 0.0 108.957 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -61.48 -23.22 65.73 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.855 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.59 -46.31 66.61 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.431 ' HB3' HG12 ' A' ' 3' ' ' ILE . 68.7 t80 -67.06 -47.39 71.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.815 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 11' ' ' MET . 4.8 m-20 -54.76 -54.69 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.089 178.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -53.66 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.253 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.14 -65.67 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 111.495 -175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.14 -58.86 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.794 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.646 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 28.9 mmt -66.58 -24.43 66.34 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.285 -170.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.63 -64.68 1.02 Allowed 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.839 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 3.1 mmp_? -57.3 -12.57 2.5 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -174.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.9 mt -107.32 -52.51 2.75 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.5 18.19 12.84 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.6 -23.73 42.86 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.103 -0.373 . . . . 0.0 111.196 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -45.37 -48.71 13.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.113 0.483 . . . . 0.0 111.137 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -78.73 -43.67 25.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.469 -171.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -77.35 -27.84 52.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.042 0.449 . . . . 0.0 110.865 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -77.53 -37.36 51.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.27 -44.88 96.5 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -32.91 74.83 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.981 175.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.18 -38.57 91.53 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.058 0.456 . . . . 0.0 110.683 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.23 -26.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -76.02 -43.33 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.408 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -163.82 -161.36 0.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.872 -175.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.26 54.69 22.33 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.792 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.67 128.3 33.28 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.9 116.73 67.01 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.25 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -74.58 65.96 5.64 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.759 2.306 . . . . 0.0 110.769 176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.03 -41.09 78.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.601 -176.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -132.34 107.67 8.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.909 -177.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 65.2 tttp -80.94 163.32 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 20.6 tpp180 -55.82 113.73 6.21 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 122.363 0.265 . . . . 0.0 110.438 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.481 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 50.9 Cg_exo -55.06 -29.63 66.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.897 2.398 . . . . 0.0 112.726 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.404 ' OG ' HD12 ' A' ' 39' ' ' ILE . 25.4 p -100.45 108.67 20.72 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.459 ' HB1' ' HD3' ' A' ' 38' ' ' PRO . . . -61.38 -48.81 90.01 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.845 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HB1' ' A' ' 37' ' ' ALA . 80.7 Cg_exo -47.82 -47.22 19.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 122.25 1.967 . . . . 0.0 112.763 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 ' OG ' ' A' ' 36' ' ' SER . 56.4 mt -65.05 -43.3 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.617 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.12 -57.09 14.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.429 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 59.5 m-85 -63.65 -29.08 70.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -63.16 -41.13 99.21 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.87 -44.18 90.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.075 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -72.15 -16.31 61.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t70 67.34 94.38 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.387 0 C-N-CA 122.935 0.494 . . . . 0.0 110.291 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 63.4 Cg_exo -37.81 -47.29 2.04 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 123.969 3.113 . . . . 0.0 113.96 -171.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.3 11.64 84.76 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.482 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HD2' ' HD2' ' A' ' 49' ' ' PRO . 19.3 tptp -65.86 126.86 92.55 Favored Pre-proline 0 C--O 1.234 0.284 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.488 ' O ' HG12 ' A' ' 52' ' ' ILE . 11.5 Cg_endo -53.18 123.48 13.31 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.098 2.532 . . . . 0.0 113.019 -173.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -16.82 27.62 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.764 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.5 t -45.81 -34.17 3.57 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.186 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 49' ' ' PRO . 31.8 pt -64.39 -40.73 90.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.86 0.362 . . . . 0.0 110.596 177.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.31 -32.16 71.11 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.942 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -72.41 -31.37 65.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.215 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -79.89 -24.11 41.39 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.8 p -80.02 97.67 6.89 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -109.57 113.91 27.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.416 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -76.98 157.89 30.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.51 13.04 17.9 Favored Glycine 0 N--CA 1.454 -0.133 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -173.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -79.22 104.32 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.3 p -85.07 -30.81 23.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.742 -174.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 63' ' ' MET . 5.9 tt -162.26 145.17 11.47 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.569 ' N ' HD23 ' A' ' 62' ' ' LEU . 21.3 ptp -146.62 162.41 38.48 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.504 ' HE2' ' HG ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -146.12 139.04 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 111.323 175.442 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -96.84 108.38 21.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.291 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.566 HG22 HD11 ' A' ' 122' ' ' LEU . 17.9 t -96.28 106.68 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.783 -177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.724 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 22.8 m -78.06 101.65 7.06 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.559 HG12 HG21 ' A' ' 80' ' ' ILE . 18.7 t -102.34 -51.4 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.274 0.559 . . . . 0.0 111.334 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.52 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.4 t -76.26 -64.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.358 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.81 6.37 67.07 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -170.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.462 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 38.0 t30 -126.38 129.51 24.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.462 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 98.9 Cg_exo -46.73 -20.36 1.04 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.344 2.696 . . . . 0.0 114.292 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.5 m -57.21 100.48 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 177.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' H ' ' HG3' ' A' ' 74' ' ' GLU . 13.3 mt-10 -50.76 -33.0 21.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.656 0.741 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.611 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 3.1 mptp? -63.75 -31.84 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.161 -168.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.22 -58.81 6.37 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.497 ' HA ' HG23 ' A' ' 80' ' ' ILE . 8.8 t -67.23 -35.82 80.36 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.468 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -55.5 -58.32 8.27 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.09 0.471 . . . . 0.0 110.638 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 42.1 mm-40 -65.15 -46.32 81.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.35 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.559 HG21 HG12 ' A' ' 68' ' ' VAL . 10.3 tp -65.66 -39.34 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.05 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -70.02 -31.76 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.27 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 t -64.73 -41.36 96.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 97.7 mt -61.04 -47.19 87.55 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.231 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.421 ' HE1' ' HG3' ' A' ' 125' ' ' GLN . 35.4 m0 -64.87 -38.56 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.751 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -56.97 -53.33 59.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.92 88.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.905 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -56.37 -46.6 79.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 111.22 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.39 -34.37 75.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.66 -14.85 59.51 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.692 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.56 -42.27 18.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 172.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.15 53.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.442 176.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 67.39 76.52 0.28 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.525 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -134.22 105.38 6.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.785 173.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.24 91.06 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.087 0.47 . . . . 0.0 109.886 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.61 139.22 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.083 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -101.74 106.86 17.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.619 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -112.75 141.34 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.815 -175.371 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -135.9 149.67 49.06 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.03 0.443 . . . . 0.0 110.592 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.13 99.84 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.866 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 100' ' ' VAL . 15.1 m -125.38 101.69 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.311 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.82 104.33 2.05 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -170.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m -54.48 -14.77 1.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.52 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 9.0 p-10 -84.12 -25.07 29.98 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 120.892 0.377 . . . . 0.0 111.403 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -133.28 178.33 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.216 0.532 . . . . 0.0 111.789 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.28 139.24 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.15 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.4 tt -103.18 127.27 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.153 -177.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -109.25 115.94 30.96 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.756 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 81.9 mtp -102.33 120.65 40.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.396 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.659 HD22 HG22 ' A' ' 118' ' ' ILE . 6.0 mp -100.28 163.33 12.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.452 ' HA ' HH11 ' A' ' 110' ' ' ARG . 9.4 mmm180 -97.63 -23.42 15.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.086 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.55 ' HB3' ' HE1' ' A' ' 114' ' ' TYR . 13.2 t70 -137.39 151.23 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.7 -8.86 59.15 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.858 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.4 t -72.9 -55.16 7.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 117.437 0.619 . . . . 0.0 110.356 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.55 ' HE1' ' HB3' ' A' ' 111' ' ' ASP . 33.1 p90 -73.8 0.2 13.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.701 0.286 . . . . 0.0 110.792 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . . . -59.42 -38.04 79.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 177.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -39.16 65.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.1 -51.57 69.17 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.444 0.465 . . . . 0.0 110.719 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.659 HG22 HD22 ' A' ' 109' ' ' LEU . 11.3 tt -65.27 -38.0 81.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.688 ' HB3' ' HZ2' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -54.63 -44.87 73.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 176.662 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.543 ' HA ' HG23 ' A' ' 123' ' ' VAL . 56.1 m-20 -67.55 -45.31 76.01 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.175 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.66 -41.77 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.456 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.566 HD11 HG22 ' A' ' 66' ' ' VAL . 96.3 mt -67.34 -44.51 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.024 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.66 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 27.7 m -78.35 -12.39 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.45 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.2 m -85.11 -13.63 49.64 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.582 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.482 HE22 ' HB3' ' A' ' 127' ' ' ARG . 0.4 OUTLIER -76.05 126.62 31.34 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 175.705 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.52 -36.42 44.7 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -169.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.482 ' HB3' HE22 ' A' ' 125' ' ' GLN . 66.3 ttt180 -91.03 24.24 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.961 0.41 . . . . 0.0 111.445 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' A' ' 123' ' ' VAL . 42.5 t -74.43 94.56 2.59 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.022 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.49 5.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.22 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.724 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 4.9 tm-20 -151.94 144.88 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.416 HG22 HG21 ' A' ' 66' ' ' VAL . 4.4 p -144.89 104.82 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.26 0.552 . . . . 0.0 110.82 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 79.5 m -88.65 115.91 26.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.668 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.504 ' HG ' ' HE2' ' A' ' 64' ' ' MET . 6.8 tt -99.67 115.54 29.69 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.832 -172.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -87.01 85.84 7.28 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.085 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 162.68 55.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.92 80.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 111.061 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 69.6 mtm -104.6 -52.06 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.856 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -147.28 69.1 11.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.071 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.09 177.63 5.6 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.064 2.509 . . . . 0.0 112.266 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 84.87 171.2 48.0 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -174.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.031 -179.601 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.159 -0.377 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -166.27 166.79 16.55 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 tt -90.13 -2.67 10.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 120.681 0.277 . . . . 0.0 111.538 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -58.13 -21.78 48.14 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 122.339 -0.226 . . . . 0.0 111.505 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -47.36 -45.93 25.29 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.968 0.413 . . . . 0.0 109.915 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -58.73 -44.04 90.33 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.41 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.485 ' N ' HD21 ' A' ' 7' ' ' ASN . 0.8 OUTLIER -58.57 -62.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.199 -177.674 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -57.79 -55.74 31.02 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -54.2 45.62 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.131 -173.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.84 -46.63 68.02 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.66 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 29.0 mmt -63.32 -40.76 98.21 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.332 -178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 110.178 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -54.38 -42.4 70.31 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.83 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -84.39 -52.71 5.97 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.533 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.83 -31.11 70.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.73 -34.04 69.07 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.423 . . . . 0.0 110.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -62.89 -45.6 91.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.831 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -64.57 -41.88 95.99 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.28 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.47 -61.26 2.53 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.725 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.691 ' HB3' ' HZ3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -60.1 -49.2 78.59 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.65 -176.554 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -57.58 -41.24 80.73 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.217 0.532 . . . . 0.0 110.416 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.61 -53.27 60.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.203 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -77.77 -20.96 52.47 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.423 -175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 20' ' ' LYS . 53.3 mt -65.91 -45.41 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 174.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.77 -40.94 63.09 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.358 0.599 . . . . 0.0 109.706 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 55.82 18.19 2.84 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.98 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.12 21.74 40.82 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.914 -0.584 . . . . 0.0 113.745 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.65 152.66 24.66 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 117.779 0.789 . . . . 0.0 109.98 176.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.3 mm? -81.02 123.17 82.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.993 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.58 88.6 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.509 2.139 . . . . 0.0 112.345 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.75 -24.93 62.71 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.758 0.79 . . . . 0.0 108.916 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -125.87 126.41 44.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.441 -1.254 . . . . 0.0 109.109 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -75.5 164.49 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.033 0.444 . . . . 0.0 111.536 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -83.71 111.15 30.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -46.91 -38.85 24.07 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.337 2.691 . . . . 0.0 113.551 -173.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -87.01 112.12 21.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.4 -47.97 0.53 Allowed Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.695 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -81.1 40.17 0.96 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.204 1.936 . . . . 0.0 112.767 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.7 pt -56.17 -29.65 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.17 -41.64 84.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.395 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.34 -25.83 67.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.42 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -78.05 -39.7 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.56 97.82 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -94.15 -65.45 0.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.99 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.1 t70 58.44 83.0 0.22 Allowed Pre-proline 0 N--CA 1.469 0.477 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.213 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.3 -44.08 3.84 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.786 2.324 . . . . 0.0 112.46 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.46 -54.75 4.61 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.103 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -80.65 163.59 55.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 C-N-CA 122.573 0.349 . . . . 0.0 110.628 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.61 97.32 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.153 1.902 . . . . 0.0 110.796 172.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -72.14 97.35 1.93 Allowed 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.148 0.499 . . . . 0.0 110.806 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.5 t -60.69 -31.82 71.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.064 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.561 HD11 ' N ' ' A' ' 53' ' ' LEU . 2.6 pp -60.03 -48.0 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.44 176.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.561 ' N ' HD11 ' A' ' 52' ' ' ILE . 9.5 tt -63.71 -32.43 73.92 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.517 0.675 . . . . 0.0 109.29 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -71.38 -34.07 70.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.284 177.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.51 ' HG3' ' HA ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -99.41 -4.19 32.07 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -173.416 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.4 p -48.75 124.04 7.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.892 0.377 . . . . 0.0 111.274 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.555 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 2.8 ttmp? -122.37 140.42 52.7 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.459 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.527 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -106.39 161.3 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.2 -175.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.534 ' HA3' HH21 ' A' ' 110' ' ' ARG . . . 115.32 68.07 0.44 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.979 176.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.492 ' HD2' ' SD ' ' A' ' 108' ' ' MET . 20.6 pttp -158.76 105.38 1.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 m -98.59 -30.33 12.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.811 -171.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.681 HD23 HD13 ' A' ' 109' ' ' LEU . 57.2 tp -135.45 145.32 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.274 -176.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.8 mtm -127.82 138.28 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.428 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 63.5 mtt -128.21 120.33 27.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.246 178.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.84 101.62 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.608 HG23 HD13 ' A' ' 122' ' ' LEU . 17.1 t -95.63 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.628 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.7 m -72.85 103.42 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.534 HG12 HG21 ' A' ' 80' ' ' ILE . 26.2 t -100.05 -43.65 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.542 . . . . 0.0 110.463 -174.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.687 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 37.7 t -91.39 -63.91 1.19 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.274 -175.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' H ' ' HB2' ' A' ' 103' ' ' ASP . . . 87.43 -11.01 67.08 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.433 -171.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.502 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 3.7 p-10 -126.17 151.44 71.97 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.32 -15.23 47.43 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.071 3.181 . . . . 0.0 116.734 -166.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.502 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -68.55 162.13 26.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.505 1.048 . . . . 0.0 112.278 -163.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -87.15 -17.95 31.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.555 -175.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -56.14 -73.12 0.06 Allowed 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.856 0.836 . . . . 0.0 110.989 -173.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.437 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 1.3 pm0 -55.61 -45.21 77.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.995 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -63.85 -42.74 97.49 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.015 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.52 -49.15 74.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.113 0.482 . . . . 0.0 109.784 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -50.52 73.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.675 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.534 HG21 HG12 ' A' ' 68' ' ' VAL . 11.3 tp -72.07 -40.61 67.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.358 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 m -64.15 -40.15 95.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.0 p -68.12 -39.03 82.86 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.44 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.29 -58.48 7.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.744 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -64.52 -34.77 79.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.8 -35.73 71.23 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.102 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.53 -61.29 2.99 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.112 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -57.34 -50.05 74.2 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.64 -38.79 84.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.794 0.33 . . . . 0.0 111.492 -173.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.09 -32.46 39.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.597 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -75.44 -22.09 57.63 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 109.999 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.06 2.99 40.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.461 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.533 ' N ' HD21 ' A' ' 92' ' ' ASN . 0.8 OUTLIER 66.92 44.41 2.03 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.755 173.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -90.46 164.14 14.38 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.69 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 4.5 p30 -92.99 15.97 13.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.672 HG11 HD22 ' A' ' 109' ' ' LEU . 18.0 m -87.18 132.85 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -173.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -113.6 142.34 46.09 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.446 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -117.66 143.53 46.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.487 -177.211 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -142.54 150.3 40.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.185 173.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -111.11 114.24 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.262 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 100' ' ' VAL . 7.5 p -146.07 106.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 176.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.65 87.02 0.61 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 -162.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.0 p -48.06 -32.28 6.51 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.687 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.9 p-10 -67.91 -21.5 65.13 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 120.789 0.328 . . . . 0.0 111.425 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -129.1 122.36 29.76 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 110.742 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 127.5 38.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -97.91 131.67 44.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.441 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -117.25 125.96 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.127 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.492 ' SD ' ' HD2' ' A' ' 60' ' ' LYS . 56.3 mtm -107.79 112.51 25.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.681 HD13 HD23 ' A' ' 62' ' ' LEU . 18.0 mt -91.53 131.83 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.419 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.534 HH21 ' HA3' ' A' ' 59' ' ' GLY . 37.3 mtp180 -83.17 -25.54 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 0.0 109.762 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -131.58 165.74 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.272 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.05 -3.2 39.12 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.208 -175.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -61.61 -34.77 76.21 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.959 0.379 . . . . 0.0 111.784 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -103.59 11.81 35.73 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.601 0.239 . . . . 0.0 110.605 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.5 -65.29 0.62 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.945 0.402 . . . . 0.0 112.036 -175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -33.46 75.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.09 -50.13 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.326 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.576 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 11.2 tt -67.95 -36.96 77.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.696 ' HG2' HG12 ' A' ' 131' ' ' VAL . 1.2 tmmt? -52.49 -54.73 28.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.087 0.47 . . . . 0.0 110.336 177.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.569 ' HA ' HG23 ' A' ' 123' ' ' VAL . 18.9 m-20 -66.38 -35.33 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.676 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.96 -40.4 84.59 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 110.47 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.608 HD13 HG23 ' A' ' 66' ' ' VAL . 88.0 mt -68.72 -46.94 67.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.781 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.569 HG23 ' HA ' ' A' ' 120' ' ' ASP . 19.0 m -70.74 -24.92 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.6 t -80.64 -3.65 51.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.461 ' HG2' HD11 ' A' ' 80' ' ' ILE . 6.2 tp-100 -60.39 151.75 27.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.557 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.03 -43.28 63.65 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 122.754 0.422 . . . . 0.0 111.59 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 53.1 tpt85 -67.97 -18.7 64.82 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.318 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m 61.52 79.75 0.24 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 110.345 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.92 129.88 37.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.552 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -92.66 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.154 0.502 . . . . 0.0 110.134 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.696 HG12 ' HG2' ' A' ' 119' ' ' LYS . 7.7 p -95.45 139.32 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.365 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.3 m -125.32 130.48 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.195 173.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.58 ' HB2' ' HG2' ' A' ' 137' ' ' MET . 7.2 mp -86.21 146.92 26.35 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.594 -176.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.04 137.39 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 94.65 -84.86 0.98 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.404 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -126.94 123.26 36.76 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.726 0.298 . . . . 0.0 111.211 -175.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.58 ' HG2' ' HB2' ' A' ' 133' ' ' LEU . 73.9 mtp -103.61 100.44 10.28 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 174.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -137.93 117.72 10.06 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.077 -174.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.52 -28.1 38.7 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.36 -104.09 3.13 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.735 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.339 -178.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.02 140.62 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 0.0 111.404 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.554 HG22 ' HB3' ' A' ' 6' ' ' TYR . 11.5 mt -92.42 47.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 173.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -56.66 -37.84 71.36 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.338 -1.301 . . . . 0.0 112.369 -166.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.61 -45.2 92.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.273 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.554 ' HB3' HG22 ' A' ' 3' ' ' ILE . 26.5 t80 -58.61 -47.9 82.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.862 175.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.02 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.337 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.15 -59.53 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.645 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -66.07 -56.03 13.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -69.12 -39.88 78.65 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.926 -172.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.617 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 26.2 mmt -69.17 -36.68 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.231 178.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -57.99 -47.36 83.24 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 175.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 21.0 mtm180 -64.94 -39.04 92.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.995 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.07 -52.11 64.02 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.027 0.441 . . . . 0.0 109.867 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.619 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 10.4 mp -67.97 -28.77 67.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 11.0 tm-20 -54.38 -35.78 63.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -57.59 -48.09 80.33 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.407 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.619 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 74.1 m95 -66.46 -39.35 88.77 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 13.6 mm-40 -58.95 -51.94 67.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.511 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 24' ' ' ILE . 21.1 ptmt -66.72 -40.35 88.37 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.142 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -58.69 -40.52 83.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.096 0.474 . . . . 0.0 109.932 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.68 -39.84 91.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.0 -40.82 96.98 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.738 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 20' ' ' LYS . 78.2 mt -73.01 -57.86 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.636 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -95.04 -20.36 19.4 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -171.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 65.97 95.95 0.05 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.984 0.514 . . . . 0.0 111.843 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.34 90.33 0.01 OUTLIER Glycine 0 C--N 1.335 0.524 0 O-C-N 123.629 0.581 . . . . 0.0 114.146 172.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.57 98.47 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.526 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 90.9 mt -103.42 168.25 8.98 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.525 -175.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 29' ' ' LEU . 16.3 Cg_endo -57.45 -176.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.86 2.373 . . . . 0.0 112.497 173.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -6.09 17.72 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -122.19 106.0 10.74 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.007 0.432 . . . . 0.0 110.135 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' HG2' ' HB2' ' A' ' 29' ' ' LEU . 37.8 mtmt -102.36 -177.14 3.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.388 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -50.23 116.13 6.22 Favored Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.917 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.93 -14.58 23.85 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.496 2.131 . . . . 0.0 111.235 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.8 t -129.18 126.88 40.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -74.98 -47.59 4.71 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.234 -177.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 54.5 Cg_endo -68.19 88.81 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 121.826 1.684 . . . . 0.0 111.986 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 pt -63.03 -18.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.745 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.99 -60.06 3.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.585 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.568 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 92.3 m-85 -62.41 -35.6 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.814 -177.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.5 t -66.63 -32.07 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.54 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -79.17 -47.69 15.58 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp -76.7 -27.31 55.44 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.361 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 61.46 90.55 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.467 0 O-C-N 123.469 0.481 . . . . 0.0 110.342 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 7.9 Cg_exo -71.48 139.42 34.47 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.882 2.388 . . . . 0.0 112.469 -172.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.1 11.13 82.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.928 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -57.98 109.39 1.76 Allowed Pre-proline 0 CA--C 1.536 0.409 0 CA-C-O 120.66 0.267 . . . . 0.0 110.818 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.576 ' O ' HG12 ' A' ' 52' ' ' ILE . 12.5 Cg_exo -70.27 -21.45 31.12 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.016 2.477 . . . . 0.0 112.769 -174.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.541 ' HA ' HD23 ' A' ' 53' ' ' LEU . 3.1 mp0 -57.4 -18.21 16.63 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -176.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.3 t -52.49 -47.0 66.82 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.066 0.46 . . . . 0.0 110.588 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.593 HG13 HD21 ' A' ' 53' ' ' LEU . 32.0 pt -68.64 -37.1 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.459 -178.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD21 HG13 ' A' ' 52' ' ' ILE . 3.0 mm? -67.77 -23.81 65.27 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.673 0.273 . . . . 0.0 110.316 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.9 -45.43 28.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.822 178.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.414 ' HG2' ' HA ' ' A' ' 52' ' ' ILE . 25.6 ptt? -79.91 -20.41 45.85 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.789 -177.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.6 m -87.6 112.46 22.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.691 0.282 . . . . 0.0 110.639 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -134.28 143.54 47.81 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.989 0.424 . . . . 0.0 111.09 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -108.45 161.77 14.73 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.794 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.84 64.02 0.75 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.057 177.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 20.0 pttp -147.92 107.22 3.9 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.13 0.491 . . . . 0.0 110.45 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -89.06 -32.05 17.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -162.73 123.29 2.41 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.692 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.594 ' HE3' ' HG2' ' A' ' 108' ' ' MET . 14.7 ptp -128.03 150.1 50.08 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 174.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.486 ' HE2' ' O ' ' A' ' 115' ' ' ALA . 57.5 mtt -125.6 146.39 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.659 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -109.11 110.2 21.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG21 HD12 ' A' ' 122' ' ' LEU . 32.9 t -99.55 101.81 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.364 -177.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.43 HG22 ' HB2' ' A' ' 130' ' ' GLU . 7.5 t -84.55 109.73 18.17 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.5 0.667 . . . . 0.0 110.004 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.744 HG11 HG23 ' A' ' 80' ' ' ILE . 38.4 t -103.29 -60.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.534 -172.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -78.83 -58.41 3.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.381 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.88 0.14 84.27 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -173.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -126.13 145.76 53.46 Favored Pre-proline 0 C--O 1.234 0.287 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -59.54 -19.88 54.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.361 2.707 . . . . 0.0 114.337 -170.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.488 HG23 ' NZ ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -60.39 108.14 0.77 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.039 0.447 . . . . 0.0 110.335 -178.073 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -63.09 -37.23 86.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.579 -169.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' NZ ' HG23 ' A' ' 73' ' ' THR . 0.0 OUTLIER -58.98 -25.3 63.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -167.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.65 -71.09 0.16 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.574 ' HA ' HG22 ' A' ' 80' ' ' ILE . 87.0 m -65.42 -30.59 71.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 -176.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -59.44 -55.58 32.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.104 0.478 . . . . 0.0 110.508 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.94 -44.66 84.43 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.583 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.744 HG23 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -63.26 -36.87 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.543 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.5 m -67.18 -36.56 82.03 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.207 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 66.3 m -59.19 -44.22 92.2 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.142 0.496 . . . . 0.0 110.288 175.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.96 -49.48 74.56 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.388 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.496 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 m0 -59.01 -55.36 36.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.382 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 82' ' ' SER . 1.2 pp0? -55.54 -40.72 72.23 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.28 97.1 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.692 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.441 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 25.3 t -76.82 -17.15 59.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.255 0.222 . . . . 0.0 111.308 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 97.8 mt -90.95 -41.26 11.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 111.128 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.432 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 35.7 m-85 -75.79 -17.54 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.441 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 11.1 p30 -74.97 -20.75 59.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.09 8.39 44.62 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.488 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.1 t30 51.61 77.4 0.14 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.341 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -109.41 132.99 53.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 172.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 110' ' ' ARG . 23.4 p-10 -89.41 41.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.557 0.694 . . . . 0.0 110.581 -175.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' A' ' 109' ' ' LEU . 27.3 m -87.69 133.47 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.718 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 96' ' ' GLN . 14.0 mm-40 -100.51 110.23 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.265 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.511 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -113.29 128.07 56.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.12 -170.595 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -140.55 159.37 42.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.406 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 102' ' ' SER . 10.0 tt -114.48 110.07 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.217 0.532 . . . . 0.0 110.57 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.406 ' O ' HG21 ' A' ' 100' ' ' VAL . 15.4 m -119.6 105.33 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.287 177.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.45 101.52 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -171.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.447 ' HA ' HD13 ' A' ' 99' ' ' ILE . 47.9 t -41.79 -30.65 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.4 -35.31 62.73 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.96 0.41 . . . . 0.0 111.575 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.485 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -144.5 149.99 36.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.193 0.52 . . . . 0.0 111.656 -173.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.36 136.78 49.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.381 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tt -93.94 113.81 29.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.674 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.42 102.78 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.678 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.594 ' HG2' ' HE3' ' A' ' 63' ' ' MET . 73.3 mtm -87.67 133.96 33.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.555 HD22 HG22 ' A' ' 118' ' ' ILE . 6.5 mp -111.32 120.01 40.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.447 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 55.5 ttp180 -73.93 -38.32 64.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -112.47 111.55 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.153 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.9 22.75 34.44 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 121.168 -0.539 . . . . 0.0 113.02 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.1 t -70.74 -45.93 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.001 0.401 . . . . 0.0 110.153 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -89.35 21.81 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.486 ' O ' ' HE2' ' A' ' 64' ' ' MET . . . -54.2 -45.96 72.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.749 -177.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -67.97 -33.06 73.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -71.43 -47.86 53.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.555 HG22 HD22 ' A' ' 109' ' ' LEU . 11.9 tt -65.1 -39.35 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.446 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.42 -52.95 63.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.73 -38.49 69.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.456 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.79 -50.76 72.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.836 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.509 HD12 HG21 ' A' ' 66' ' ' VAL . 86.4 mt -63.31 -37.19 86.28 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 66.3 t -74.37 -31.12 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.44 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -73.36 -0.36 14.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.294 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -57.05 150.64 16.68 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -58.78 -33.51 70.41 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 110.718 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -84.52 -12.68 53.74 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.0 m 57.0 87.79 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.51 148.96 26.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.836 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.43 ' HB2' HG22 ' A' ' 67' ' ' THR . 40.4 mt-10 -94.76 113.86 25.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.639 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 39.3 t -105.68 117.97 52.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.606 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.8 t -112.89 147.99 35.88 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.477 HD22 ' HG2' ' A' ' 64' ' ' MET . 89.2 mt -90.98 145.69 24.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.971 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -88.23 132.37 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 113.55 -79.43 0.27 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.365 -0.445 . . . . 0.0 111.998 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -169.01 -179.69 3.73 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.591 ' HA ' ' HE3' ' A' ' 137' ' ' MET . 0.2 OUTLIER -79.97 79.74 6.47 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.399 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -55.75 -50.51 86.65 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.413 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.44 5.39 4.23 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.952 1.768 . . . . 0.0 113.201 -176.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -157.31 83.53 0.14 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.238 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.845 -0.597 . . . . 0.0 109.836 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -138.21 123.49 19.34 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -89.87 36.43 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -50.42 -37.77 39.66 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.42 -50.05 66.01 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.495 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.14 -44.02 93.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.103 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.45 ' O ' ' HB3' ' A' ' 11' ' ' MET . 14.3 m120 -55.37 -64.17 0.93 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.477 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.14 -57.3 12.31 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.727 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.43 -66.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 111.766 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -69.01 -43.72 74.22 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.06 -171.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.458 ' O ' HD13 ' A' ' 15' ' ' LEU . 43.0 ttm -74.03 -37.42 64.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -174.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.39 80.39 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.735 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -38.36 85.64 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.2 tp -67.2 -44.7 78.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.082 0.467 . . . . 0.0 110.404 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.502 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 9.7 mp -78.81 -7.54 57.94 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.168 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -48.47 -42.2 31.95 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.922 0.489 . . . . 0.0 110.941 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.11 -45.15 93.36 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.852 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.502 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 92.8 m95 -66.29 -40.04 89.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 -177.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.07 71.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' O ' HG13 ' A' ' 24' ' ' ILE . 23.8 tptp -69.36 -39.8 77.89 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 11.8 m-20 -62.55 -37.84 87.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.62 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.72 -46.06 88.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.491 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.87 -43.9 77.58 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.6 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 20' ' ' LYS . 73.8 mt -62.32 -37.97 80.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.403 178.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 45.0 mt-10 -72.61 -30.08 64.05 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.422 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.75 -57.83 9.41 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.667 0.27 . . . . 0.0 110.551 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.97 82.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -176.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.08 152.49 32.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.384 . . . . 0.0 110.884 -173.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.9 mt -127.27 143.34 46.8 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.964 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.12 -179.99 5.56 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.572 2.182 . . . . 0.0 111.687 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -73.37 -17.55 61.27 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.403 0.62 . . . . 0.0 109.989 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -78.11 168.84 19.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.045 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -67.17 -179.87 1.06 Allowed 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -53.24 122.25 29.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.99 0.57 4.88 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.864 2.376 . . . . 0.0 113.04 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -68.9 107.35 3.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.557 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -85.1 -47.98 0.62 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.879 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 23.6 Cg_endo -60.35 124.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 121.75 1.634 . . . . 0.0 111.775 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.413 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.2 tt -78.7 1.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.878 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 5.7 m-20 -45.4 -33.98 2.85 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.051 0.541 . . . . 0.0 112.049 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -54.43 -54.39 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 110.679 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -83.5 -27.45 29.4 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.351 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 23.3 tptm -62.8 -51.77 65.78 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.267 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mp -81.27 -41.98 21.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.648 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 32.5 t70 54.31 58.39 12.15 Favored Pre-proline 0 N--CA 1.469 0.503 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -174.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 45' ' ' ASP . 68.3 Cg_endo -96.55 130.11 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.313 2.675 . . . . 0.0 114.259 -169.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.53 ' O ' ' HD3' ' A' ' 49' ' ' PRO . . . 87.79 -21.79 21.07 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.989 -0.55 . . . . 0.0 114.19 167.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -95.89 109.1 44.7 Favored Pre-proline 0 N--CA 1.466 0.33 0 CA-C-N 117.513 0.657 . . . . 0.0 111.764 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.53 ' HD3' ' O ' ' A' ' 47' ' ' GLY . 43.0 Cg_endo -96.98 -73.12 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.521 2.814 . . . . 0.0 111.006 170.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 55.05 72.33 0.48 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.081 0.552 . . . . 0.0 111.913 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.4 t -53.72 -38.44 64.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.948 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.637 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.5 pp -57.26 -41.88 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.235 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 52' ' ' ILE . 9.4 tt -71.93 -33.54 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.06 0.457 . . . . 0.0 109.898 -177.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -77.35 -31.96 54.8 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.587 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.434 ' HG3' ' HA ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -85.05 -21.87 29.22 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.936 -177.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.5 m -75.46 120.9 21.53 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.98 108.53 19.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.013 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -83.82 106.03 15.18 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.873 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.83 70.82 1.07 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.781 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.701 ' HD3' ' H ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -79.07 114.13 17.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.229 0.537 . . . . 0.0 109.642 179.122 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.5 p -81.62 -24.58 36.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.598 -172.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HG ' HD21 ' A' ' 109' ' ' LEU . 42.4 tp -80.31 104.89 11.17 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.211 0.529 . . . . 0.0 111.2 -171.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.56 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 15.7 ptp -134.83 137.51 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.911 172.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.532 ' HE3' HG13 ' A' ' 131' ' ' VAL . 10.7 ptm -139.95 128.45 22.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.682 -173.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.37 115.38 23.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.48 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.44 HG21 HD13 ' A' ' 122' ' ' LEU . 26.3 t -96.7 106.59 18.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.3 t -89.47 110.65 21.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.237 0.542 . . . . 0.0 109.893 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.704 HG11 HG21 ' A' ' 80' ' ' ILE . 48.4 t -101.82 -56.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.738 -176.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.729 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 19.8 m -61.53 -50.58 72.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.565 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.25 -4.1 5.13 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.653 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 65.7 t30 -127.97 142.25 43.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 124.407 1.083 . . . . 0.0 108.393 -173.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.653 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 24.7 Cg_exo -39.06 -17.09 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 124.128 3.219 . . . . 0.0 115.83 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 71' ' ' ASN . 2.2 t -63.72 128.57 36.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.385 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -79.53 -24.36 42.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.627 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 2.6 mptp? -58.62 -48.19 81.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.3 -165.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.554 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.8 mm-40 -58.49 -62.82 1.57 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.158 0.504 . . . . 0.0 110.68 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 m -59.84 -37.6 79.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.832 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.79 -52.83 54.75 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.575 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 8.7 mm-40 -59.87 -48.0 83.47 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.704 HG21 HG11 ' A' ' 68' ' ' VAL . 11.4 tp -66.34 -38.28 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.841 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.7 m -64.93 -34.04 77.46 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.69 0.281 . . . . 0.0 110.293 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.6 t -64.46 -45.03 89.17 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.394 0.616 . . . . 0.0 109.626 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.582 HD11 HD12 ' A' ' 80' ' ' ILE . 78.7 mt -57.21 -38.72 74.13 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.947 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.702 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 28.7 m0 -74.54 -31.51 62.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' OE1' ' HD2' ' A' ' 97' ' ' ARG . 7.9 tp60 -58.03 -35.57 71.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.93 -50.92 4.7 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.452 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.531 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 61.5 m -61.38 -58.28 8.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.09 -35.19 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.739 0.304 . . . . 0.0 111.438 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' HZ ' HH11 ' A' ' 97' ' ' ARG . 12.5 m-85 -78.12 -34.44 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.531 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 8.0 p30 -70.19 -23.4 62.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.01 4.22 23.66 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.384 173.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 75.03 18.46 2.52 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.667 0.787 . . . . 0.0 112.313 173.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -95.72 92.8 6.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.14 79.31 2.29 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.323 0.582 . . . . 0.0 109.631 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -94.14 143.59 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.983 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 90.1 mm-40 -100.44 100.58 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.287 0.565 . . . . 0.0 109.825 -177.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.568 HH11 ' HZ ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -107.69 131.2 54.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.7 -174.488 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.407 ' O ' HG22 ' A' ' 106' ' ' ILE . 49.6 m-85 -128.4 125.92 39.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.6 tt -80.37 89.59 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.73 0.776 . . . . 0.0 110.361 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.24 117.01 52.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.968 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.97 102.85 0.73 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -167.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -45.65 -29.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -170.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.729 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 5.2 p-10 -85.07 -11.25 55.72 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -145.31 154.9 42.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.303 0.573 . . . . 0.0 112.124 -172.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.09 128.69 48.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.217 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 9.2 tt -85.18 121.35 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.997 0.427 . . . . 0.0 110.543 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.336 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.619 ' SD ' ' NZ ' ' A' ' 60' ' ' LYS . 44.7 ttm -99.48 123.9 44.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.225 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.458 HD21 ' HG ' ' A' ' 62' ' ' LEU . 2.7 mm? -102.24 151.59 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.584 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -73.12 -43.4 61.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -145.18 175.97 9.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.98 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.98 16.32 15.78 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.714 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 m -63.88 -34.33 77.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.378 0.589 . . . . 0.0 110.805 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -108.86 18.0 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.42 80.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.377 -175.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -29.77 63.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.992 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.28 -53.46 43.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.219 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.4 tt -64.86 -38.67 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.24 -49.39 76.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.817 0.341 . . . . 0.0 110.251 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.497 ' HA ' HG23 ' A' ' 123' ' ' VAL . 15.4 t70 -60.89 -42.27 97.65 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.96 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -56.45 -42.25 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 78.4 mt -72.13 -43.43 64.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.512 -177.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 120' ' ' ASP . 18.6 m -75.39 -26.74 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 -177.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.7 m -81.95 -0.8 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.377 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.702 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 15.7 mm100 -63.68 162.08 13.83 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.77 177.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.32 -34.69 48.14 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.837 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -87.36 -12.85 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.944 -177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 55.8 m 54.28 76.83 0.22 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.139 0.495 . . . . 0.0 110.469 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.18 128.68 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.74 148.21 26.48 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.532 HG13 ' HE3' ' A' ' 64' ' ' MET . 20.5 t -126.57 121.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -176.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.4 p -98.71 113.02 24.92 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.086 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 133' ' ' LEU . 6.0 mp -86.64 151.11 23.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -177.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.56 ' HG3' ' HG3' ' A' ' 63' ' ' MET . 11.9 mm-40 -81.57 106.47 13.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.112 173.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.9 155.16 30.56 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.36 -0.447 . . . . 0.0 112.652 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -107.51 73.97 0.94 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.117 0.484 . . . . 0.0 110.028 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 137' ' ' MET . 3.8 mpp? -74.96 -45.54 41.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.677 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.447 ' H ' ' HD2' ' A' ' 139' ' ' PRO . 63.1 m-85 -93.83 -50.92 0.26 Allowed Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.216 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.447 ' HD2' ' H ' ' A' ' 138' ' ' TYR . 58.7 Cg_endo -71.61 -171.24 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 121.797 1.665 . . . . 0.0 111.697 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -172.72 73.07 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.504 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.938 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.744 0.307 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 11' ' ' MET . 97.7 m-20 -57.27 -65.75 0.57 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.571 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -50.24 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.076 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -67.57 0.39 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.65 -44.55 81.58 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.405 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.477 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.8 ttm -69.5 -34.93 75.01 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.796 -175.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.17 86.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.172 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -60.4 -33.05 71.93 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.436 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.91 -43.21 55.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.504 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 94.0 mt -85.95 -0.83 56.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -177.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -47.78 -46.05 29.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.954 0.502 . . . . 0.0 110.878 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.68 -42.46 97.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.484 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 85.3 m95 -67.78 -42.26 81.93 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.134 0.493 . . . . 0.0 109.874 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.37 -36.97 85.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.275 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.13 -47.21 87.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.787 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.67 -51.43 68.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.411 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -59.42 -34.54 72.6 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.77 -43.56 54.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.796 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.9 pp -78.14 -21.87 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.65 -45.69 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.571 . . . . 0.0 109.628 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.31 177.586 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.4 tttp . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.521 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 8.4 tpp180 -53.65 113.57 5.06 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 59.5 Cg_endo -70.59 -20.4 30.97 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.408 2.072 . . . . 0.0 112.363 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 m -81.15 108.54 14.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.416 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -80.31 -48.29 1.27 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.694 175.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 3.9 Cg_exo -78.58 100.63 1.38 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.151 1.901 . . . . 0.0 111.339 174.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.95 -19.81 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.604 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 13.0 m-20 -51.04 -26.99 6.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.262 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -57.69 -54.05 51.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.72 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -81.65 -24.53 36.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.214 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.603 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 36.2 ttmt -64.85 -55.23 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.291 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.014 -179.292 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 108' ' ' MET . 1.7 pmm? -114.47 160.51 19.11 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.249 0.547 . . . . 0.0 110.972 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.5 mtt -108.16 122.09 46.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.919 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' HB2' ' OG1' ' A' ' 132' ' ' THR . 91.9 m-85 -80.98 101.05 9.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 130' ' ' GLU . 34.5 t -100.44 99.21 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.659 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 27.8 m -78.2 95.14 4.89 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.913 HG11 HG21 ' A' ' 80' ' ' ILE . 25.6 t -85.82 -60.8 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.729 -171.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.0 m -77.91 -70.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.17 -171.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.16 9.42 80.12 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -171.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -126.65 133.25 24.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 123.529 0.731 . . . . 0.0 109.43 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -42.01 -34.56 2.7 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.964 3.109 . . . . 0.0 115.301 -172.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.671 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 72.9 p -65.24 102.11 0.62 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.79 0.329 . . . . 0.0 111.482 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.64 -24.12 63.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.083 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.671 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.9 ptmm? -47.88 -48.41 31.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.445 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 75.9 mm-40 -56.85 -48.84 77.15 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.109 0.48 . . . . 0.0 110.622 -175.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.7 m -63.93 -43.71 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.821 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.42 -46.94 86.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.76 0.314 . . . . 0.0 110.362 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt-10 -56.9 -57.51 12.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.35 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.913 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -64.21 -37.52 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.218 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -69.13 -35.53 76.49 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.504 0.193 . . . . 0.0 111.045 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.7 p -73.27 -31.63 64.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 94.0 mt -63.78 -45.21 90.77 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -61.16 -45.42 94.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.245 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.64 -34.4 64.9 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.12 -65.4 2.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.78 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.7 m -52.43 -46.94 66.61 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.92 -54.04 50.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.963 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.45 -30.49 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.728 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -71.27 -27.15 63.24 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.27 13.8 16.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.872 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.8 m120 69.31 17.56 8.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.806 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -95.54 89.44 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.421 ' HB3' ' NH2' ' A' ' 110' ' ' ARG . 28.7 t70 -84.04 103.02 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.07 168.92 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.124 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 15.9 mm100 -100.56 133.79 44.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.477 ' NH1' ' HA ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -141.15 124.28 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -175.43 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -135.22 149.06 49.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.018 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 tt -108.03 90.4 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.48 0.657 . . . . 0.0 110.543 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 100' ' ' VAL . 16.7 m -116.57 108.82 26.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 105.07 2.71 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -167.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.6 m -40.47 -30.24 0.11 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -100.93 -22.66 14.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.767 0.318 . . . . 0.0 111.709 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.2 mmm-85 -97.38 112.4 24.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -170.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.14 116.07 31.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 106' ' ' ILE . 45.2 pt -96.4 121.16 46.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 111.31 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -102.82 102.3 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.339 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.487 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.4 ttm -87.58 120.37 28.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.829 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.3 mt -98.19 128.42 44.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.198 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 94' ' ' ASP . 37.5 ptt180 -86.84 -7.28 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 171.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -115.23 -169.61 1.6 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.292 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.17 -35.12 0.02 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.366 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.4 m -51.85 -45.21 63.94 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 117' ' ' GLU . 55.2 p90 -99.99 26.66 6.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.42 68.29 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 111.496 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -74.32 -21.8 59.54 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -70.21 -52.0 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 tt -65.68 -38.82 83.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.407 ' HZ2' HG12 ' A' ' 131' ' ' VAL . 24.5 ttmm -57.26 -41.73 80.21 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.159 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.3 -49.53 77.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.721 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.84 -37.03 63.19 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.085 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 86.0 mt -69.75 -54.35 14.12 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.918 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.1 m -75.98 -5.88 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.653 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.6 t -63.33 -13.01 34.34 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.657 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -79.74 153.88 28.94 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.709 0.29 . . . . 0.0 111.062 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -42.66 64.13 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.993 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 128' ' ' CYS . 19.1 mtp180 -67.07 -25.09 66.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -177.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 127' ' ' ARG . 42.7 t 71.0 -60.68 0.5 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 111.198 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.6 161.82 0.24 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.099 0.56 . . . . 0.0 111.611 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 16.0 tt0 -85.66 113.62 22.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.943 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.544 HG22 HG13 ' A' ' 66' ' ' VAL . 49.1 t -117.18 97.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 65' ' ' PHE . 25.0 p -107.61 160.15 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--O 1.235 0.322 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.764 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.457 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 10.5 t80 . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.716 0.294 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -55.68 -70.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.624 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -62.05 -57.16 12.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.247 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -47.43 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 34.3 t70 -76.66 -47.82 20.93 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.758 -174.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.9 mmt -60.86 -32.64 72.06 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.91 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -63.71 -58.78 5.83 Favored 'General case' 0 C--O 1.226 -0.173 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 172.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -53.11 -27.54 21.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.78 -37.09 16.89 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.608 0.242 . . . . 0.0 111.136 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 18' ' ' TRP . 8.1 mp -110.52 25.95 11.21 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.954 0.354 . . . . 0.0 111.954 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ALA . 53.4 mt-10 -49.59 -22.83 1.4 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -52.38 -59.14 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.097 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.468 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 34.8 p-90 -68.83 -36.42 78.17 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.365 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.25 -62.37 1.89 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.303 0.573 . . . . 0.0 110.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' O ' HG13 ' A' ' 24' ' ' ILE . 38.4 ttmt -58.9 -47.65 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.302 -178.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.42 -39.04 82.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.24 -47.94 80.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.122 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.77 -37.49 84.5 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 20' ' ' LYS . 77.3 mt -64.92 -32.69 59.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -82.68 -26.18 32.31 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.987 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 120.987 0.423 . . . . 0.0 111.104 -177.446 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -49.34 106.09 0.59 Allowed Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -87.61 0.36 7.22 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.918 2.412 . . . . 0.0 113.17 -173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -70.9 109.01 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.507 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.582 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.66 -49.29 51.05 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 176.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 5.1 Cg_exo -74.84 107.06 2.39 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.1 1.867 . . . . 0.0 111.103 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.4 pt -70.41 -6.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.629 ' HA ' HD13 ' A' ' 44' ' ' LEU . 5.4 m-20 -48.96 -44.88 41.19 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.402 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -61.81 -51.08 69.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 m -76.86 -22.72 53.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.357 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -95.23 -43.31 8.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -177.459 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 40' ' ' ASP . 6.9 mp . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 C--O 1.232 0.143 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.4 mtm -126.37 129.2 48.33 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 120.955 0.407 . . . . 0.0 110.68 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.501 ' HG2' HD23 ' A' ' 133' ' ' LEU . 61.5 mtt -111.3 127.21 55.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.438 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.68 108.62 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.574 HG21 HD13 ' A' ' 122' ' ' LEU . 46.7 t -107.56 105.36 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.736 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 24.5 m -71.53 113.16 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 173.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.872 HG11 HG21 ' A' ' 80' ' ' ILE . 58.5 t -101.28 -60.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 111.096 -173.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -84.79 -46.1 11.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.032 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.21 -4.21 41.82 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.789 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.615 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.0 p30 -127.25 161.54 53.66 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.615 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 33.3 Cg_endo -61.91 -17.06 53.49 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.382 2.721 . . . . 0.0 115.36 -170.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.417 HG23 ' HD3' ' A' ' 75' ' ' LYS . 23.2 m -63.08 90.65 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.508 0.671 . . . . 0.0 111.268 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -54.1 -25.01 19.73 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.063 -179.632 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 11.8 mptt -58.43 -54.59 45.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.012 -171.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.2 -40.88 97.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.781 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.2 m -65.24 -42.44 93.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.843 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.06 -45.35 85.71 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.131 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -57.67 -53.8 54.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.009 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.872 HG21 HG11 ' A' ' 68' ' ' VAL . 10.9 tp -62.62 -36.63 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.666 -176.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -63.79 -38.87 92.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 110.369 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.3 m -62.79 -41.96 99.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.527 HD12 HD12 ' A' ' 80' ' ' ILE . 75.0 mt -61.98 -43.76 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 178.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -60.88 -60.09 4.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.4 -27.78 64.6 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.41 63.74 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.765 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.473 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 20.4 m -81.81 -19.2 41.66 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.79 -48.52 10.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.139 0.495 . . . . 0.0 110.462 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.51 -26.43 62.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 35.7 p30 -71.51 -21.08 61.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.263 0.554 . . . . 0.0 110.082 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.01 6.93 47.73 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.947 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 63.02 25.09 14.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.119 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -76.58 92.06 3.44 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.0 95.05 5.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.847 -174.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.468 ' HA ' ' HG3' ' A' ' 110' ' ' ARG . 27.4 m -133.74 162.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.708 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.481 ' HB3' ' HB2' ' A' ' 108' ' ' MET . 7.4 tp60 -108.03 153.15 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.502 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -145.21 143.58 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.542 -174.102 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -141.51 148.73 39.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.6 tt -109.86 90.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.559 0.695 . . . . 0.0 109.566 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.0 m -118.38 110.46 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.439 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.32 101.03 1.67 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -169.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.5 m -53.45 -21.58 6.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -171.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.81 -26.12 61.39 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.939 0.4 . . . . 0.0 111.535 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 104' ' ' ARG . 11.2 ptp180 -139.23 175.6 9.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.44 0.638 . . . . 0.0 112.233 -168.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.14 142.83 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.785 172.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -111.09 133.01 58.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -115.44 118.67 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.379 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.481 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.1 mtt -94.7 97.45 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.5 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 109' ' ' LEU . 6.8 mp -71.67 129.37 38.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.653 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 88.3 mtt-85 -82.85 -6.64 59.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.203 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -149.74 177.24 9.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.372 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.47 22.16 4.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.018 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.7 m -81.12 -55.68 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.155 -175.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -100.51 21.58 13.05 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.312 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.36 -41.95 66.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.921 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -69.73 -31.07 68.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 0.0 110.227 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.61 -46.18 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.097 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.3 tt -65.23 -35.23 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 177.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -59.55 -50.31 74.4 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 123' ' ' VAL . 36.3 t70 -60.02 -36.64 77.67 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.375 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -61.02 -43.08 99.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.574 HD13 HG21 ' A' ' 66' ' ' VAL . 93.9 mt -62.57 -51.17 68.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' A' ' 120' ' ' ASP . 17.0 m -74.35 -17.16 16.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.619 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.84 -31.12 70.56 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.021 0.438 . . . . 0.0 110.003 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -86.98 135.03 33.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.031 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.67 -18.63 65.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.242 -171.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -76.9 -4.33 43.28 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.4 t -77.96 100.96 6.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.68 14.13 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.736 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 33.8 tt0 -151.2 119.32 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 -175.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.503 HG23 HG22 ' A' ' 66' ' ' VAL . 7.3 p -111.19 125.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 0.0 110.264 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.8 p -140.8 157.27 45.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.898 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' A' ' 64' ' ' MET . 53.5 mt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 4.8 p90 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.628 ' O ' ' HB3' ' A' ' 11' ' ' MET . 28.6 m-80 -56.01 -73.17 0.06 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.17 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -65.26 -65.57 0.66 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.857 0.361 . . . . 0.0 111.897 -173.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 33.4 t70 -69.91 -37.94 76.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.63 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.628 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 47.6 ttm -74.82 -37.01 62.43 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.937 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.36 82.57 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.136 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 62.2 mtm180 -63.13 -50.08 71.88 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.186 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.99 -51.86 64.89 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.14 -28.93 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.38 -42.64 96.05 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 87.3 mm-40 -63.37 -51.21 66.85 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.03 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -60.06 -41.67 92.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.81 -43.74 95.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.917 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.658 ' O ' HG12 ' A' ' 24' ' ' ILE . 24.9 ttpp -54.54 -55.12 32.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.82 -46.05 83.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.88 -30.64 66.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.746 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.3 -38.19 24.69 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 20' ' ' LYS . 37.2 pt -89.3 -7.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.636 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -102.43 -41.42 6.31 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.461 0.172 . . . . 0.0 110.699 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.688 0.28 . . . . 0.0 110.267 -179.277 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.603 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -79.89 111.72 23.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.488 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 61.9 Cg_endo -87.99 1.78 6.63 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.202 2.601 . . . . 0.0 111.929 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -69.17 113.65 6.72 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.876 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -72.11 -34.78 3.04 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.563 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 17.1 Cg_exo -70.03 51.87 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.466 2.111 . . . . 0.0 113.035 175.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.6 -25.64 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 110.76 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.21 -40.46 64.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.675 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -67.45 -29.18 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -76.98 -33.74 57.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -78.49 -48.23 15.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.413 179.73 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 62' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.238 0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.45 ' HG2' HD11 ' A' ' 106' ' ' ILE . 2.4 mpp? -122.58 151.66 41.2 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.325 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.582 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 59.2 mtt -114.6 121.52 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.92 171.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -91.1 128.35 36.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.109 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.469 HG13 HG22 ' A' ' 131' ' ' VAL . 51.7 t -127.34 101.8 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.783 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 26.1 m -74.49 113.87 12.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.784 HG11 HG21 ' A' ' 80' ' ' ILE . 62.6 t -101.1 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.124 -173.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.458 ' OG ' ' HB2' ' A' ' 76' ' ' GLU . 18.1 m -78.51 -45.29 22.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -175.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' N ' ' HB2' ' A' ' 103' ' ' ASP . . . 76.47 -10.06 18.67 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.896 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.595 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 4.0 p30 -125.65 162.23 46.1 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.595 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 18.3 Cg_endo -57.3 -18.73 31.78 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.168 2.579 . . . . 0.0 114.89 -169.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -62.14 99.88 0.15 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.65 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.517 ' HB2' ' OG ' ' A' ' 102' ' ' SER . 43.4 tt0 -67.67 -21.19 65.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.479 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.623 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -62.75 -44.22 96.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.797 -173.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.458 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.4 mm-40 -60.44 -51.43 69.53 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.85 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -59.5 -39.84 85.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.732 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -46.53 87.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.626 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 58.0 mm-40 -60.2 -52.3 65.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.293 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.784 HG21 HG11 ' A' ' 68' ' ' VAL . 11.1 tp -63.09 -36.58 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.743 -176.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -66.49 -43.26 85.83 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.474 ' HA ' HE21 ' A' ' 85' ' ' GLN . 5.5 p -64.67 -42.86 95.07 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.836 0.351 . . . . 0.0 110.504 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.9 mt -57.22 -44.2 83.51 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.286 176.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.404 ' O ' HD13 ' A' ' 88' ' ' LEU . 24.5 m0 -66.64 -52.14 48.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.698 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.474 HE21 ' HA ' ' A' ' 82' ' ' SER . 28.4 pt20 -59.75 -26.59 65.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.336 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.25 -61.68 3.59 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.018 172.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.3 m -57.35 -48.67 78.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.648 0.379 . . . . 0.0 111.911 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 84' ' ' TRP . 11.0 mp -59.85 -43.67 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -177.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -72.25 -20.95 61.46 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.442 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.8 -26.93 67.18 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.48 10.01 36.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.557 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.3 t30 65.88 24.36 11.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.521 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -75.01 92.74 2.63 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.11 -0.369 . . . . 0.0 110.077 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.84 88.71 2.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.099 0.476 . . . . 0.0 109.936 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.9 t -129.94 150.94 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -100.39 139.79 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.615 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -130.22 121.76 26.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.257 -173.139 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -125.36 159.59 31.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 99' ' ' ILE . 14.8 tt -119.71 89.35 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.796 0.808 . . . . 0.0 110.951 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.6 m -108.0 114.52 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.935 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.1 102.73 2.48 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -169.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 74' ' ' GLU . 7.5 t -49.73 -22.6 1.44 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.41 ' HB2' ' N ' ' A' ' 70' ' ' GLY . 14.8 p-10 -101.26 0.88 38.17 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -146.93 162.68 38.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.119 0.485 . . . . 0.0 111.834 -171.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.3 160.4 29.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.634 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.45 HD11 ' HG2' ' A' ' 63' ' ' MET . 10.5 tt -132.79 121.05 43.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.001 0.429 . . . . 0.0 110.729 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.52 113.72 27.4 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 52.5 ttp -96.13 115.67 27.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 118' ' ' ILE . 6.3 mp -92.01 139.42 30.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.295 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -78.08 -37.52 46.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.1 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.74 146.6 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.211 175.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.89 31.97 6.48 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.606 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -63.63 -55.21 25.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.949 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -102.3 28.36 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.02 75.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.613 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -73.31 -33.97 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.62 -53.04 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.518 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 109' ' ' LEU . 11.3 tt -61.52 -38.23 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.86 -45.85 91.16 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.411 ' HA ' HG22 ' A' ' 123' ' ' VAL . 25.6 t70 -61.77 -40.75 96.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.33 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.77 -47.79 83.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.238 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 95.8 mt -61.62 -42.88 99.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.397 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 120' ' ' ASP . 25.1 m -76.21 -24.71 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.463 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 t -70.54 -26.27 63.48 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.778 0.323 . . . . 0.0 110.397 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.56 ' HB2' ' SG ' ' A' ' 128' ' ' CYS . 24.7 mm-40 -59.93 130.31 46.13 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.244 0.545 . . . . 0.0 111.084 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.0 -26.78 62.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.972 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -85.29 -3.48 58.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.364 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 125' ' ' GLN . 77.9 m -85.59 118.66 25.24 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.01 -51.59 6.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.579 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 40.4 mt-10 -130.74 131.04 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.21 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 66' ' ' VAL . 61.3 t -131.82 115.75 28.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.3 m -149.11 129.44 13.77 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.891 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.582 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.3 pp . . . . . 0 C--O 1.235 0.332 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.466 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.706 0.289 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' A' ' 11' ' ' MET . 81.6 m-20 -56.27 -59.21 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 15.5 t70 -52.44 -63.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.908 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.608 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -52.59 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.002 0.43 . . . . 0.0 110.987 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.42 -60.71 3.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.401 -173.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.534 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.8 ttm -69.18 -43.1 74.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -170.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.63 -41.67 68.55 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.504 -177.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.0 mmt180 -75.22 -11.52 60.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.18 -53.12 8.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.432 166.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? -138.26 66.54 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.602 0.715 . . . . 0.0 111.276 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ALA . 31.0 tt0 -58.13 -10.27 1.83 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.719 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -39.42 -47.59 1.82 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -69.94 -40.22 75.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.498 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.77 -49.63 75.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' O ' HG13 ' A' ' 24' ' ' ILE . 88.5 tttt -60.97 -49.2 78.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.808 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.2 -54.06 50.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.009 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.68 -31.88 72.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.31 -42.51 83.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.517 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 20' ' ' LYS . 80.2 mt -65.48 -48.0 84.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -59.57 -37.2 77.83 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.136 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.117 179.85 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 1.7 tpmt? . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 5.8 ppt_? -70.49 144.95 92.26 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.473 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 4.5 Cg_exo -81.4 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.489 2.126 . . . . 0.0 111.734 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -87.43 133.25 33.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.52 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -79.31 -49.05 1.47 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.215 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.8 Cg_exo -76.13 86.6 1.51 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.319 2.013 . . . . 0.0 112.065 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.4 pt -99.33 3.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.39 -54.01 30.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.481 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -59.53 -40.97 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -69.11 -33.35 73.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -76.7 -40.83 47.52 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.995 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.466 0.34 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.026 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 63' ' ' MET . 2.5 mpp? -126.81 113.0 16.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.417 ' HB3' ' HG ' ' A' ' 133' ' ' LEU . 18.2 ptp -107.76 125.06 50.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 0.0 111.121 -176.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -89.69 117.04 28.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.985 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG21 HD13 ' A' ' 122' ' ' LEU . 21.9 t -98.26 111.52 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.519 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 m -78.25 100.21 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 80' ' ' ILE . 21.5 t -102.15 -61.38 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -171.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.71 ' HB2' ' ND2' ' A' ' 71' ' ' ASN . 81.1 p -83.29 -66.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.782 -167.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.54 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 90.04 10.11 64.88 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -174.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.71 ' ND2' ' HB2' ' A' ' 69' ' ' SER . 7.7 p30 -126.61 145.21 52.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -67.1 -28.44 41.03 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.111 2.541 . . . . 0.0 112.88 -174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 10.5 p -63.43 117.5 6.78 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.1 0.476 . . . . 0.0 110.835 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 2.5 mp0 -64.62 -33.27 75.55 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.826 -173.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.1 ptmm? -37.8 -48.41 1.1 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.823 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.57 -56.66 14.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.93 0.395 . . . . 0.0 111.082 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.493 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.0 t -65.31 -30.87 71.77 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.386 -177.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.97 -52.24 66.25 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 25.3 mm-40 -59.98 -58.63 7.72 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.992 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.694 HG21 HG11 ' A' ' 68' ' ' VAL . 8.9 tp -60.06 -43.87 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.49 -173.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 m -67.63 -30.9 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.525 0.203 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.1 t -64.73 -44.44 90.16 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 79' ' ' GLU . 4.5 mm? -60.61 -48.65 80.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.465 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 25.8 m0 -60.32 -41.54 93.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.486 177.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -54.17 -51.96 62.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.912 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.65 76.28 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.05 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.6 t -59.11 -47.19 86.17 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.721 0.296 . . . . 0.0 111.2 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 85.1 mt -66.81 -40.23 87.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.809 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.49 -25.8 64.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.567 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.23 -35.88 68.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.65 -3.69 42.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.593 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 67.1 27.03 8.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.366 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -70.3 128.14 35.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.321 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.5 73.68 4.07 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.604 0.716 . . . . 0.0 109.281 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.6 HG12 ' HG ' ' A' ' 109' ' ' LEU . 35.4 m -125.84 157.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.757 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.551 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 25.2 mm-40 -125.26 145.58 49.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 177.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.779 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -121.69 129.27 52.63 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.534 ' HB2' HG23 ' A' ' 106' ' ' ILE . 97.2 m-85 -137.76 146.62 43.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 0.0 110.239 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -110.84 124.59 67.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.438 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 100' ' ' VAL . 3.7 p -151.26 101.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.62 101.22 0.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -170.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.472 ' HA ' HG21 ' A' ' 77' ' ' THR . 45.1 t -47.64 -31.54 4.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -170.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.54 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 3.5 m-20 -52.08 -37.17 53.01 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.934 0.397 . . . . 0.0 111.453 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.458 ' O ' ' HD2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -139.34 138.67 36.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.585 -173.706 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.07 140.8 39.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 98' ' ' PHE . 6.8 tt -100.6 125.5 54.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 110.876 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -107.85 113.32 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.578 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.551 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 62.2 mtt -93.45 135.45 34.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.336 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.6 ' HG ' HG12 ' A' ' 95' ' ' VAL . 6.0 mp -127.16 122.53 34.39 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -76.85 -30.35 56.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.364 0.602 . . . . 0.0 109.541 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.64 138.08 54.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.23 -0.896 . . . . 0.0 108.892 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.16 21.8 8.68 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.808 -172.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.0 p -66.73 -36.69 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.631 0.716 . . . . 0.0 110.019 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -98.26 19.45 14.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.927 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.91 66.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 111.349 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -77.51 -30.76 53.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.581 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.74 -46.93 62.11 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.582 HG21 HD21 ' A' ' 109' ' ' LEU . 11.7 tt -67.81 -41.53 85.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.326 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.75 -43.15 94.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.993 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.538 ' HA ' HG22 ' A' ' 123' ' ' VAL . 31.4 t70 -58.94 -47.32 85.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.025 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -54.22 -42.89 70.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.66 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.489 HD13 HG21 ' A' ' 66' ' ' VAL . 89.4 mt -69.23 -43.27 74.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.284 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 120' ' ' ASP . 24.5 m -79.44 -8.79 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 m -74.82 -4.72 39.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.41 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.52 ' HG3' ' H ' ' A' ' 128' ' ' CYS . 6.4 tp-100 -59.73 117.64 5.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 110.077 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.68 -22.14 47.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.311 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -76.24 -47.66 23.11 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.935 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.52 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 16.5 p 166.68 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.427 0.691 . . . . 0.0 109.685 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -173.15 156.94 3.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 111.475 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -160.37 132.43 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 172.371 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 66' ' ' VAL . 50.0 t -118.69 106.9 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 -173.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.7 m -99.64 126.24 45.61 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.417 ' HG ' ' HB3' ' A' ' 64' ' ' MET . 6.8 mp . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 121.021 0.438 . . . . 0.0 112.057 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 . . . . . 0 C--O 1.23 0.051 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.538 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.2 m-20 -55.34 -50.23 70.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.826 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -50.22 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.622 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -55.17 38.5 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.743 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.26 -55.19 9.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.619 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 15.1 mmt -62.8 -37.38 86.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.386 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -60.88 -64.37 0.98 Allowed 'General case' 0 CA--C 1.526 0.039 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.174 176.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 26.1 mmt180 -66.21 -14.35 61.77 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -173.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' HB3' HD23 ' A' ' 15' ' ' LEU . 56.4 tp -85.35 -53.18 5.38 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.123 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -127.62 38.1 4.1 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.091 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 11.8 pt-20 -58.98 -4.43 0.47 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -46.79 -54.47 9.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.945 0.498 . . . . 0.0 111.205 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -69.86 -32.67 71.17 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.94 -60.97 2.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.607 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' ILE . 14.8 ptmm? -63.26 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.32 -51.87 65.93 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.285 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -34.44 77.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.827 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -23.37 61.85 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 20' ' ' LYS . 83.1 mt -82.82 -35.52 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.031 0.443 . . . . 0.0 110.36 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.86 -39.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.987 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 87.1 tttt . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.541 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -50.35 112.07 2.57 Favored Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.715 0.406 . . . . 0.0 110.504 175.563 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.8 -41.31 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.177 1.918 . . . . 0.0 112.164 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 p -115.48 138.72 50.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.971 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -83.2 -50.84 0.68 Allowed Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 173.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.7 Cg_exo -76.44 108.37 2.65 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.222 1.948 . . . . 0.0 111.671 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.6 pt -66.72 -21.41 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HD13 ' A' ' 44' ' ' LEU . 31.9 t70 -50.89 -59.87 3.67 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 90.3 m-85 -62.38 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.502 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 t -61.4 -43.5 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -74.82 -31.29 61.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.646 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 40' ' ' ASP . 10.1 mp . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 172.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 63' ' ' MET . 1.3 tm? . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.592 ' N ' HD13 ' A' ' 62' ' ' LEU . 21.7 ptm -146.44 142.33 28.03 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.404 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 52.1 mtt -123.5 123.94 41.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.23 -172.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -90.9 96.51 10.67 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.525 HG21 HD13 ' A' ' 122' ' ' LEU . 16.4 t -90.67 104.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.603 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 m -76.28 97.19 4.12 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.781 HG11 HG21 ' A' ' 80' ' ' ILE . 24.1 t -101.64 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.186 -173.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 25.4 t -63.81 -67.01 0.46 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.825 -173.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.477 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 75.08 -1.36 55.93 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.833 -175.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.494 HD22 HH12 ' A' ' 127' ' ' ARG . 8.2 p30 -126.14 151.81 72.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 122.775 0.43 . . . . 0.0 109.861 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.74 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.275 2.65 . . . . 0.0 113.64 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 p -59.3 97.07 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.356 0.598 . . . . 0.0 111.103 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.4 -27.22 14.92 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.308 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.554 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 3.8 mptp? -45.57 -41.17 9.63 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.563 0.54 . . . . 0.0 111.304 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.53 -60.11 4.31 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.215 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.426 ' HA ' HG22 ' A' ' 80' ' ' ILE . 13.6 t -68.16 -36.09 79.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -176.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.52 -58.19 9.67 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.402 0.62 . . . . 0.0 110.326 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.5 ' O ' HD13 ' A' ' 83' ' ' LEU . 44.6 mt-10 -62.4 -45.38 93.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.109 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.781 HG21 HG11 ' A' ' 68' ' ' VAL . 9.7 tp -62.24 -38.69 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.664 -177.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.3 m -65.51 -35.26 80.34 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.2 m -63.17 -41.78 99.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 79' ' ' GLU . 9.6 mp -63.11 -47.59 82.15 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.468 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 22.9 m0 -61.39 -41.19 96.73 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.89 -51.83 59.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.063 177.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.27 52.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.025 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 m -58.64 -48.39 81.18 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 88.0 mt -64.67 -39.06 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.84 -9.96 59.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.512 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -74.13 -37.5 64.05 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.9 2.24 56.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.597 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t30 57.99 62.65 1.99 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.737 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -93.45 99.42 11.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.681 ' HB2' ' HE ' ' A' ' 110' ' ' ARG . 4.8 m-20 -65.27 82.49 0.05 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 m -125.32 157.76 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.656 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.748 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 45.8 mt-30 -102.01 151.63 21.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.98 122.42 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.02 -177.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -137.72 158.97 43.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -111.48 108.97 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.586 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.73 116.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.54 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.404 ' HA3' HH11 ' A' ' 104' ' ' ARG . . . 77.02 102.6 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -173.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 m -43.8 -26.51 0.26 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.477 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 8.5 m-20 -66.04 -41.97 90.17 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.572 ' H ' ' HD2' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -128.06 160.84 30.73 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.505 0.669 . . . . 0.0 112.205 -170.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.15 148.46 44.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.836 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.823 HG13 ' SD ' ' A' ' 108' ' ' MET . 6.5 tp -111.38 122.96 66.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.11 0.481 . . . . 0.0 111.246 -175.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.1 134.67 53.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.168 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.823 ' SD ' HG13 ' A' ' 106' ' ' ILE . 3.3 mpp? -116.24 123.19 47.11 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.526 0.33 . . . . 0.0 110.532 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.1 mt -102.68 122.27 44.1 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.363 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.681 ' HE ' ' HB2' ' A' ' 94' ' ' ASP . 13.3 ptt180 -80.03 -22.98 41.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.38 142.87 50.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.754 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.95 5.32 32.25 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.404 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 m -67.47 -20.17 65.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.236 0.518 . . . . 0.0 110.964 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.426 ' O ' HG22 ' A' ' 118' ' ' ILE . 45.8 p90 -124.13 27.87 6.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.82 -60.53 3.56 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.378 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.503 ' HE3' ' HA ' ' A' ' 116' ' ' TRP . 1.4 m95 -70.53 -26.27 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.383 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.38 -57.37 12.54 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.627 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.497 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -64.75 -33.43 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.156 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -54.03 -52.11 61.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.48 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.661 ' HA ' HG22 ' A' ' 123' ' ' VAL . 7.2 m-20 -66.85 -38.4 86.3 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.579 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -55.13 -40.04 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.395 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.525 HD13 HG21 ' A' ' 66' ' ' VAL . 92.5 mt -72.89 -52.25 15.45 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.265 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 120' ' ' ASP . 20.9 m -68.46 -16.41 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.744 0.307 . . . . 0.0 111.734 -175.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -74.89 -0.58 18.99 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.609 ' NE2' HD11 ' A' ' 80' ' ' ILE . 6.4 tp-100 -63.36 156.66 25.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.1 -47.55 74.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.552 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.494 HH12 HD22 ' A' ' 71' ' ' ASN . 30.2 ttm180 -82.77 2.35 34.39 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.684 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m 69.6 -67.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.598 0.759 . . . . 0.0 111.278 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.67 119.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.564 0.54 . . . . 0.0 111.575 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -79.64 113.13 17.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.984 0.421 . . . . 0.0 110.34 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 66' ' ' VAL . 7.7 p -92.01 119.37 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 110.97 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.2 m -107.11 108.99 20.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.4 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.511 HD23 HD11 ' A' ' 62' ' ' LEU . 3.9 mp . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -173.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.792 0.33 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.557 ' O ' ' HB2' ' A' ' 11' ' ' MET . 32.3 m-80 -58.32 -52.6 64.93 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.904 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.13 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -58.42 6.46 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.06 -173.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.35 -44.44 75.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.866 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 22.9 mmt -70.78 -37.71 73.37 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.188 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.04 -57.5 12.29 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -50.63 -48.13 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.004 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -56.26 -45.97 79.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 11' ' ' MET . 4.6 mm? -78.41 -19.39 53.36 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.83 -177.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 48.8 mt-10 -81.1 -40.64 23.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.431 0.158 . . . . 0.0 110.716 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -52.55 -73.64 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.849 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -51.71 -36.68 47.73 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.676 0.274 . . . . 0.0 111.139 -174.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.66 -65.48 0.67 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.05 0.452 . . . . 0.0 110.916 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 22.7 pttp -71.23 -39.81 71.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.055 -174.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.4 -35.83 78.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.527 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.49 -34.12 58.65 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.21 -41.26 96.53 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.539 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.0 mt -75.93 -42.18 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.173 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.36 -63.11 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 -177.68 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tptt . . . . . 0 C--O 1.234 0.263 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -59.14 130.58 86.92 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.677 175.268 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -57.07 -49.43 14.25 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.875 2.384 . . . . 0.0 112.434 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.526 ' O ' ' HD3' ' A' ' 34' ' ' ARG . 39.8 t -69.71 108.93 4.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.372 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.39 -48.54 0.16 Allowed Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 91.7 Cg_endo -78.69 48.84 2.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 122.388 2.059 . . . . 0.0 113.383 -173.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.44 HD11 ' NH1' ' A' ' 34' ' ' ARG . 59.8 mt -53.84 -55.66 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -55.35 -45.54 76.46 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.474 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 38' ' ' PRO . 89.8 m-85 -59.7 -36.94 77.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -68.73 -30.61 69.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.499 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -68.37 -39.43 81.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.235 0.33 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.161 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.233 0.196 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.3 mtp -121.2 140.79 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 63.6 mtt -126.72 120.78 30.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.794 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CZ ' HD12 ' A' ' 106' ' ' ILE . 76.6 m-85 -95.86 126.52 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 171.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.774 HG21 HD13 ' A' ' 122' ' ' LEU . 45.2 t -127.89 118.91 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.497 0.189 . . . . 0.0 110.708 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 129' ' ' ALA . 5.5 t -79.1 100.79 7.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.326 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 69' ' ' SER . 4.0 p -101.0 -57.55 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.492 -168.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.469 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 55.8 p -70.81 -62.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 111.3 -171.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.22 5.38 81.16 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.09 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.436 HD21 ' HB2' ' A' ' 76' ' ' GLU . 3.9 p-10 -125.85 146.98 57.17 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.22 -38.75 73.97 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.056 2.504 . . . . 0.0 113.369 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -67.3 118.27 10.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 111.388 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 77' ' ' THR . 12.4 pt-20 -75.2 -20.97 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -172.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.594 ' HD3' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -52.98 -37.13 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.357 178.601 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.594 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 12.8 mm-40 -65.4 -52.39 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.427 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 74' ' ' GLU . 15.3 t -63.41 -33.55 75.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.763 0.316 . . . . 0.0 110.277 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.46 -50.65 66.68 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.21 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 62.8 mm-40 -58.1 -55.97 28.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.413 HG12 HE22 ' A' ' 125' ' ' GLN . 9.3 tp -66.61 -39.17 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -174.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.5 m -67.45 -35.24 78.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.577 0.227 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.6 p -70.19 -37.15 75.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.022 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 96.6 mt -61.74 -44.77 96.27 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 110.029 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.59 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.6 m0 -56.94 -56.16 25.29 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.235 175.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.458 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 8.8 tt0 -47.02 -53.81 11.66 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.646 0.591 . . . . 0.0 110.583 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.41 -52.96 44.19 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.21 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 m -57.23 -39.58 75.82 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.646 0.26 . . . . 0.0 111.276 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 80.4 mt -64.4 -39.58 94.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.019 0.438 . . . . 0.0 110.779 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.458 ' HD1' ' O ' ' A' ' 85' ' ' GLN . 47.0 m-85 -78.4 -26.84 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -75.15 -26.88 59.47 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.47 5.86 22.34 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 65.99 19.61 11.23 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.079 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -66.63 -59.07 3.94 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.558 ' HB3' HH12 ' A' ' 110' ' ' ARG . 28.1 t70 64.12 103.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 -171.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 166.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.055 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.67 ' HB3' ' HB3' ' A' ' 108' ' ' MET . 48.0 tp60 -100.02 138.16 37.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.632 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -134.76 141.13 46.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 111.275 -168.776 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.481 ' HB2' HG23 ' A' ' 106' ' ' ILE . 59.8 m-85 -141.33 157.65 44.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.208 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -121.11 90.16 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 109.946 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 100' ' ' VAL . 18.8 m -108.88 99.91 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.919 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.64 103.23 0.99 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 p -44.09 -33.27 1.42 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.44 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 13.5 t70 -63.08 -37.66 88.11 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.059 0.457 . . . . 0.0 111.917 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 104' ' ' ARG . 10.2 ptm180 -129.38 125.8 37.43 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.255 0.55 . . . . 0.0 111.928 -169.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.05 163.58 13.6 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 98' ' ' PHE . 3.3 tt -138.31 140.05 40.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.473 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -125.99 162.59 24.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.67 ' HB3' ' HB3' ' A' ' 96' ' ' GLN . 51.2 ttm -135.43 119.34 17.38 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 118' ' ' ILE . 5.4 mp -103.67 164.42 11.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.734 -174.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.558 HH12 ' HB3' ' A' ' 94' ' ' ASP . 85.6 mtm-85 -87.72 -55.48 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.682 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -135.44 162.59 32.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.043 0.449 . . . . 0.0 111.079 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.56 ' HA2' ' HB2' ' A' ' 115' ' ' ALA . . . -76.6 -2.42 75.23 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.654 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -52.01 -29.96 23.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.97 0.508 . . . . 0.0 111.815 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.479 ' O ' HG22 ' A' ' 118' ' ' ILE . 35.8 p90 -129.04 12.25 6.12 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.56 ' HB2' ' HA2' ' A' ' 112' ' ' GLY . . . -59.04 -49.9 76.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.492 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -74.22 -26.59 60.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.038 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.83 -49.5 37.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.154 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.674 HG21 HD21 ' A' ' 109' ' ' LEU . 11.7 tt -65.32 -42.31 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.23 -40.74 86.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.9 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.47 -51.66 68.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.85 -38.55 61.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.774 HD13 HG21 ' A' ' 66' ' ' VAL . 81.8 mt -72.58 -53.02 13.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.331 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 129' ' ' ALA . 32.8 m -71.49 -19.92 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.6 m -79.44 -0.72 34.17 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.611 ' HG2' ' H ' ' A' ' 127' ' ' ARG . 36.1 tt0 -66.09 145.73 55.5 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.033 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.68 -19.33 62.22 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.098 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.611 ' H ' ' HG2' ' A' ' 125' ' ' GLN . 71.8 mtt-85 -83.21 7.33 16.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 37.6 m 58.21 43.34 20.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.113 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 123' ' ' VAL . . . -61.86 98.99 0.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.055 -177.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.64 141.31 36.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.144 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.2 p -102.85 155.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.5 m -140.04 120.09 13.67 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.938 0.399 . . . . 0.0 110.291 -177.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.698 0.285 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -57.11 -65.57 0.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.445 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -54.52 -58.5 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.283 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -62.01 -63.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.786 -174.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 34.6 t70 -63.3 -47.07 83.8 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.758 0.314 . . . . 0.0 111.389 -172.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.401 ' O ' HD23 ' A' ' 15' ' ' LEU . 40.2 ttm -66.96 -36.14 81.53 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.382 -176.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 16' ' ' GLU . . . -62.58 -49.91 73.38 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 14.9 mmp_? -56.96 -26.95 60.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.25 -49.54 13.54 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.411 HD12 ' NE1' ' A' ' 18' ' ' TRP . 4.0 mm? -85.09 7.56 21.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -174.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 34.7 mm-40 -48.36 -28.82 3.43 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.741 0.305 . . . . 0.0 110.786 173.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -47.78 -46.89 30.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.79 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.411 ' NE1' HD12 ' A' ' 15' ' ' LEU . 14.7 m95 -67.81 -41.11 83.6 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.427 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.86 -41.05 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.7 tttt -63.36 -45.52 90.79 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 25.1 t70 -56.93 -46.08 82.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.111 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.64 -44.22 89.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.833 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.57 -36.93 84.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.029 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.7 mt -70.79 -35.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 47.4 mm-40 -70.68 -50.86 32.06 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.34 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -174.583 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.696 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -86.91 113.62 54.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.033 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.21 -45.52 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.961 1.774 . . . . 0.0 110.008 170.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -132.47 111.07 10.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.938 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.671 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -86.5 -52.04 0.45 Allowed Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.489 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.671 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 16.1 Cg_exo -69.7 124.12 10.8 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.232 1.954 . . . . 0.0 111.567 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.1 tt -60.25 -17.04 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.384 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.92 -41.73 58.91 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -62.91 -37.81 88.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.736 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -75.73 -30.0 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -74.76 -50.48 17.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 -178.349 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.44 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 109' ' ' LEU . 1.4 tt . . . . . 0 C--O 1.237 0.401 0 CA-C-O 121.195 0.521 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.567 ' SD ' HD11 ' A' ' 106' ' ' ILE . 53.8 mtm -131.83 130.55 41.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.351 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.429 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 63.6 mtt -108.05 118.59 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.881 0.372 . . . . 0.0 110.266 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -93.77 106.54 18.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.013 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 131' ' ' VAL . 35.7 t -97.27 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.571 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.0 m -72.77 91.65 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.754 HG11 HG21 ' A' ' 80' ' ' ILE . 57.7 t -81.75 -60.49 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.996 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.485 ' OG ' ' HA ' ' A' ' 103' ' ' ASP . 37.3 p -91.79 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.146 0.498 . . . . 0.0 111.707 -172.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 88.65 -0.95 83.37 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -173.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.589 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 3.9 p30 -126.34 159.64 61.82 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 123.089 0.556 . . . . 0.0 109.531 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.589 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 38.7 Cg_endo -64.36 -23.84 65.05 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.79 2.327 . . . . 0.0 114.317 -167.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.9 p -64.63 96.6 0.18 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.09 0.472 . . . . 0.0 110.892 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.08 -20.21 63.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.98 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -40.7 -56.17 2.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.291 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.45 -58.61 6.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.343 -176.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m -63.48 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.461 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.95 -51.12 63.58 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.001 0.429 . . . . 0.0 110.37 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 83' ' ' LEU . 22.6 mm-40 -58.01 -53.15 61.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.924 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.754 HG21 HG11 ' A' ' 68' ' ' VAL . 9.7 tp -61.49 -37.28 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.676 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.1 m -64.51 -30.81 71.84 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.554 175.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 85' ' ' GLN . 39.9 m -70.7 -40.93 72.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.488 176.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.51 -47.56 85.6 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -63.65 -34.85 78.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.445 ' HB3' ' O ' ' A' ' 82' ' ' SER . 28.4 tt0 -54.21 -62.58 1.56 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.05 -51.29 56.58 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.251 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 m -59.51 -50.34 74.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.82 -47.15 72.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.591 0.234 . . . . 0.0 111.096 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -70.48 -28.34 64.91 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.414 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.41 -31.16 70.31 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.02 9.72 11.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.71 22.14 10.44 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.337 0.655 . . . . 0.0 112.228 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -79.94 89.62 5.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 173.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.526 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 35.8 m-20 -72.82 79.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.89 -179.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.123 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -121.17 154.31 36.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.84 130.13 19.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.064 0.459 . . . . 0.0 110.118 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.476 ' HB2' HG23 ' A' ' 106' ' ' ILE . 57.1 m-85 -131.83 159.68 37.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 102' ' ' SER . 13.2 tt -125.39 89.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.75 0.786 . . . . 0.0 110.782 177.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 100' ' ' VAL . 16.9 m -99.57 100.16 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.952 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.66 103.83 1.7 Allowed Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -169.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.461 ' HA ' HD11 ' A' ' 99' ' ' ILE . 24.3 m -54.84 -7.94 0.22 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -173.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.485 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 3.8 p-10 -91.72 -29.65 16.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.565 0.221 . . . . 0.0 111.172 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -124.32 124.87 43.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.137 0.494 . . . . 0.0 111.646 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.92 127.15 43.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.968 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.567 HD11 ' SD ' ' A' ' 63' ' ' MET . 2.4 tt -99.95 112.82 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.796 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -100.87 120.18 39.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.203 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 50.5 ttm -91.92 132.24 36.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 62' ' ' LEU . 7.8 mp -98.3 165.38 11.89 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.526 ' NH1' ' HB2' ' A' ' 94' ' ' ASP . 40.3 ttt180 -91.12 -32.12 15.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.915 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -164.45 166.06 20.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.493 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.27 -11.59 69.11 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.706 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -56.62 -28.03 59.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.978 0.389 . . . . 0.0 112.018 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -118.84 25.64 10.08 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.498 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 -50.78 72.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.408 ' HE3' ' N ' ' A' ' 116' ' ' TRP . 0.3 OUTLIER -66.32 -31.06 71.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 178.481 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.62 -51.82 60.69 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.569 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.2 tt -69.43 -40.56 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.433 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HD2' HD11 ' A' ' 133' ' ' LEU . 64.7 tttp -60.2 -41.81 93.77 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.997 0.427 . . . . 0.0 110.433 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.549 ' HA ' HG22 ' A' ' 123' ' ' VAL . 24.1 t70 -64.7 -44.96 88.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.703 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -55.95 -40.5 73.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.554 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 96.8 mt -67.26 -42.4 83.95 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 120' ' ' ASP . 20.0 m -79.19 -8.87 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.157 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.7 m -62.57 -15.09 49.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.968 0.413 . . . . 0.0 110.588 172.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.05 133.33 55.99 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.056 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -53.45 -46.36 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 84.9 mtm-85 -87.45 38.54 0.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.533 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.8 p -47.29 110.27 0.29 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.695 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.02 -158.32 0.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.126 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -79.76 117.7 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.214 0.53 . . . . 0.0 112.135 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 66' ' ' VAL . 60.9 t -107.39 97.37 5.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.759 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.5 p -92.55 139.38 30.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.579 HD11 ' HD2' ' A' ' 119' ' ' LYS . 7.0 mp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.045 0.45 . . . . 0.0 111.296 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.0 t80 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.948 0.404 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 11' ' ' MET . 95.0 m-20 -61.82 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.943 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.2 p30 -57.63 -50.69 72.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.327 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.76 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.52 0.2 . . . . 0.0 111.468 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.55 -52.83 13.94 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.205 -172.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 10.5 mmt -60.72 -42.2 96.8 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.871 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -70.69 -44.24 67.36 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.076 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -54.16 -31.43 52.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.368 . . . . 0.0 110.583 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -80.18 -44.14 20.33 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.16 24.54 8.55 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.68 0.276 . . . . 0.0 110.943 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 38.3 tt0 -45.85 -52.26 11.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.443 0.697 . . . . 0.0 112.45 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -54.34 -56.51 17.8 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.444 0.64 . . . . 0.0 111.102 -177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -63.58 -39.18 93.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.864 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -71.64 -45.08 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.562 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 12.0 ptmm? -62.79 -47.22 84.43 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.79 -44.7 80.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.04 -40.3 80.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.95 -41.25 87.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.012 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 20' ' ' LYS . 85.9 mt -61.21 -39.7 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.087 0.47 . . . . 0.0 110.512 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -82.61 -21.62 35.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 N--CA 1.468 0.434 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.368 177.753 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.595 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 1.6 tpmt? . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.689 0.281 . . . . 0.0 111.653 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.558 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 12.2 tpp180 -68.01 114.19 19.25 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.056 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.558 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 89.9 Cg_endo -82.15 2.42 8.54 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.162 2.574 . . . . 0.0 114.052 -173.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 p -68.07 110.97 4.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.594 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -88.34 -47.8 0.44 Allowed Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.099 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 89.7 Cg_endo -76.82 47.81 2.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 122.511 2.141 . . . . 0.0 112.719 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 pt -53.91 -26.38 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.892 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.49 -61.34 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.529 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -59.9 -37.22 78.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.509 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -64.95 -32.66 74.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.196 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -81.18 -35.56 31.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.455 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.465 0.279 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.392 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 63' ' ' MET . 1.3 pmm? -128.84 153.43 47.46 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.777 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 58.1 mtt -127.2 123.41 36.56 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.345 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -92.45 100.32 12.89 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 t -91.29 101.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 130' ' ' GLU . 5.7 t -84.18 102.62 12.73 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.534 0.683 . . . . 0.0 109.727 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 80' ' ' ILE . 43.6 t -102.4 -51.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.111 -173.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 41.9 t -64.45 -72.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.161 -170.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.81 56.61 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.581 -171.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.644 HD22 ' HG3' ' A' ' 76' ' ' GLU . 7.2 p30 -125.8 159.62 60.37 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.592 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 55.8 Cg_endo -67.91 -19.01 46.84 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.505 2.137 . . . . 0.0 114.33 -168.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 75' ' ' LYS . 13.3 p -85.74 168.83 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.145 -0.347 . . . . 0.0 111.039 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 102' ' ' SER . 0.0 OUTLIER -103.64 -31.99 9.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -176.63 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -52.18 -42.0 63.1 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -168.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.644 ' HG3' HD22 ' A' ' 71' ' ' ASN . 0.4 OUTLIER -59.64 -49.81 76.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -175.425 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.583 ' HA ' HG22 ' A' ' 80' ' ' ILE . 58.3 m -74.25 -36.33 63.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.469 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.14 -52.35 64.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 109.697 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.51 -54.36 41.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.799 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.65 HG21 HG11 ' A' ' 68' ' ' VAL . 11.0 tp -59.84 -37.46 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.984 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -68.89 -35.81 77.32 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.0 m -64.82 -38.13 89.96 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.466 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.71 -47.11 85.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -61.51 -36.74 81.39 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.619 ' HG2' ' HD2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -57.65 -53.4 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.06 98.31 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.423 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.433 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 43.3 m -66.55 -58.69 4.68 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -174.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.39 -34.4 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 111.461 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -88.66 -21.46 23.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 18.2 p30 -76.37 -24.7 54.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.45 0.85 57.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.17 173.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 62.24 63.95 1.01 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.119 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -109.2 112.38 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 170.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.27 84.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.02 -176.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.994 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.59 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 3.9 mm-40 -138.98 157.14 46.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.527 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.619 ' HD2' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -156.48 134.97 11.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.592 179.45 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -141.19 155.72 46.02 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.8 96.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.528 0.68 . . . . 0.0 110.04 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.0 p -114.79 105.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.94 99.82 0.35 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 42.4 p -50.48 -20.24 1.09 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -168.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.671 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-20 -60.27 -40.83 91.76 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -132.47 142.35 49.2 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.248 0.547 . . . . 0.0 111.862 -174.625 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.79 128.77 51.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.138 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -92.17 116.5 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 111.005 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -103.5 128.67 50.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.276 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.59 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 65.5 mtt -104.78 127.75 52.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -113.9 168.56 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.614 -174.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -96.56 -56.57 2.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.67 152.46 40.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.555 -170.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.53 -5.38 63.46 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.012 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.2 p -65.8 -72.87 0.14 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.448 0.299 . . . . 0.0 110.88 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.12 -12.9 61.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.432 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 119' ' ' LYS . . . -50.55 -39.32 48.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.381 0.61 . . . . 0.0 110.911 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.672 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 3.2 m95 -71.51 -41.16 69.57 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.698 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.14 -28.99 64.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -76.81 -31.66 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.672 ' HE2' ' HA ' ' A' ' 116' ' ' TRP . 42.0 mtmt -54.4 -56.31 19.88 Favored 'General case' 0 C--N 1.346 0.445 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 168.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.13 -40.73 70.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -58.99 -45.72 89.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.526 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 85.7 mt -63.22 -39.44 94.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.069 0.461 . . . . 0.0 110.091 175.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 119' ' ' LYS . 82.1 t -64.8 -24.62 35.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.622 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.5 m -75.98 -0.81 22.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.472 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 125' ' ' GLN . 9.9 mm-40 -81.2 145.97 30.73 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 111.726 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -49.11 -41.85 37.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.783 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.77 6.86 39.59 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -168.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.7 t 64.65 -73.76 0.05 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 70.48 -169.57 0.16 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.112 0.565 . . . . 0.0 111.006 -176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.527 ' HB3' HG23 ' A' ' 67' ' ' THR . 34.2 tt0 -138.78 147.54 42.72 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.05 138.52 37.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.116 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.4 m -122.55 152.6 40.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.777 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 1.6 pt? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 117.865 0.302 . . . . 0.0 111.306 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.536 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 73.5 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.842 0.354 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.572 ' O ' ' HB3' ' A' ' 11' ' ' MET . 81.0 m-20 -56.34 -65.79 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.269 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.45 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -64.86 0.73 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 2.7 m-20 -67.89 -54.97 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.246 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.572 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.9 ttm -65.66 -34.7 78.82 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.449 -171.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -61.89 -55.73 26.65 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 16.2 mmt180 -62.54 -12.31 21.78 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 80.8 mt -82.79 -42.01 18.45 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.385 0.136 . . . . 0.0 110.987 172.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 11' ' ' MET . 1.6 pp -126.71 38.06 4.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 111.224 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ALA . 9.1 pt-20 -49.01 -16.73 0.15 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -57.15 -49.36 76.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -62.81 -41.59 99.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 110.445 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.08 -45.55 75.4 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.778 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.11 -54.47 44.65 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 11.9 m-20 -73.91 -21.65 59.98 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.382 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.1 -44.16 63.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.732 0.301 . . . . 0.0 110.48 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -76.23 -54.36 13.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -77.6 -16.49 58.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 11.3 tt0 . . . . . 0 C--O 1.236 0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.5 170.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--O 1.232 0.158 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 31.0 ptt180 -76.83 117.38 64.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.591 0.234 . . . . 0.0 110.453 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 -8.91 19.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.188 . . . . 0.0 111.475 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -123.74 109.95 14.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.626 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -98.43 -52.5 0.2 Allowed Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.034 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 71.9 Cg_endo -82.79 42.69 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.413 2.075 . . . . 0.0 113.058 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.19 -49.51 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.29 -44.05 88.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.49 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.69 -37.45 87.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.771 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -73.35 -28.48 62.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -75.87 -53.59 8.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.345 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.465 0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.364 -177.235 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--O 1.236 0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.525 ' HG2' ' HG2' ' A' ' 108' ' ' MET . 46.4 mtt -128.84 149.79 50.6 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.9 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.9 mtt -129.86 118.83 22.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.483 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -90.0 101.99 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.533 HG13 HG22 ' A' ' 131' ' ' VAL . 25.0 t -94.23 101.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.421 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.464 ' HB ' ' HG3' ' A' ' 130' ' ' GLU . 36.8 m -82.92 110.04 17.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 109.923 177.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 80' ' ' ILE . 45.3 t -102.03 -54.34 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.622 -172.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.675 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 52.8 p -79.69 -59.75 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.328 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.15 3.25 89.59 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 44.8 p30 -127.42 169.19 12.84 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.898 0.479 . . . . 0.0 109.774 177.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.01 -18.58 62.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.846 2.364 . . . . 0.0 112.571 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.43 HG23 ' HD3' ' A' ' 75' ' ' LYS . 32.5 m -62.77 95.23 0.07 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.458 0.647 . . . . 0.0 111.038 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.13 -15.75 62.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 3.5 mptp? -59.93 -39.52 85.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.453 -175.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 18.5 mm-40 -63.52 -55.04 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 t -63.52 -39.0 93.29 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.552 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -60.81 -52.74 63.79 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.294 0.568 . . . . 0.0 110.709 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 6.5 mm-40 -62.35 -49.13 76.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.304 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.518 HG21 HG11 ' A' ' 68' ' ' VAL . 9.9 tp -66.05 -37.23 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.831 -176.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 78.7 m -66.2 -41.71 89.81 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 p -63.97 -41.48 97.53 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.737 0.304 . . . . 0.0 110.579 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt -59.25 -47.04 86.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 110.534 175.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.456 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.6 m0 -63.77 -41.49 97.95 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.13 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 81' ' ' THR . 52.8 mt-30 -54.93 -47.99 73.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 109.989 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.12 -49.8 72.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.063 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.0 m -63.78 -46.52 84.86 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.459 HD13 HG21 ' A' ' 95' ' ' VAL . 95.3 mt -62.25 -49.7 74.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 -175.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -73.38 -19.88 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -72.67 -40.66 66.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.861 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.48 -2.99 55.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.125 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 62.99 82.55 0.18 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -118.88 154.76 32.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.014 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.492 ' HB3' ' HE ' ' A' ' 110' ' ' ARG . 20.0 m-20 -95.94 78.79 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.323 0.582 . . . . 0.0 109.624 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 88' ' ' LEU . 26.8 m -125.71 146.95 30.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.602 -173.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.543 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 52.0 mt-30 -113.45 158.99 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 170.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.572 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.6 138.02 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.622 0.248 . . . . 0.0 110.983 -173.38 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -141.52 132.51 26.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.975 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.8 tt -99.15 108.62 22.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.408 0.623 . . . . 0.0 110.486 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.26 129.77 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.528 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.73 102.33 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -172.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.5 m -48.36 -24.39 1.21 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.69 -38.63 89.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.964 0.411 . . . . 0.0 111.757 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.478 ' HD3' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -136.57 178.71 6.86 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.677 0.751 . . . . 0.0 112.584 -168.104 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.36 145.75 32.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.029 171.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.8 tt -111.16 133.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.27 143.39 40.52 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.403 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.543 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 64.2 mtt -125.0 121.3 34.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.435 ' CD2' HG12 ' A' ' 95' ' ' VAL . 66.3 mt -90.33 145.62 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.492 ' HE ' ' HB3' ' A' ' 94' ' ' ASP . 27.6 mtm105 -95.43 5.53 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 109.918 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.21 -166.64 1.91 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.404 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.13 29.12 1.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.689 -0.565 . . . . 0.0 111.689 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 m -101.2 -68.69 0.8 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -84.92 22.12 1.45 Allowed 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.193 -0.317 . . . . 0.0 111.386 -173.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.27 68.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.617 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -27.74 63.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.288 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.26 -44.7 58.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.568 0.223 . . . . 0.0 110.425 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.562 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.7 tt -68.64 -39.49 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.512 ' HE2' ' HB ' ' A' ' 131' ' ' VAL . 10.0 tmtt? -56.72 -47.29 80.29 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.506 ' HA ' HG12 ' A' ' 123' ' ' VAL . 15.9 t70 -61.76 -45.38 94.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.173 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -55.54 -40.32 71.72 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.804 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 89.3 mt -71.27 -44.86 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.134 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 120' ' ' ASP . 14.6 p -73.94 -24.47 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.8 m -68.7 -4.28 15.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.408 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.577 ' HG3' ' H ' ' A' ' 127' ' ' ARG . 7.7 tp-100 -59.29 135.54 57.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.051 174.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.92 -29.74 56.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.692 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.577 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 10.4 mpt_? -73.22 -4.72 34.79 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.73 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 42.0 t 58.7 36.69 25.06 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.118 0.485 . . . . 0.0 110.694 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.43 130.98 48.7 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.464 ' HG3' ' HB ' ' A' ' 67' ' ' THR . 10.8 pt-20 -81.07 118.8 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.533 HG22 HG13 ' A' ' 66' ' ' VAL . 46.8 t -101.5 103.45 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.049 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.0 m -97.64 136.97 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 120.584 0.231 . . . . 0.0 110.469 -177.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 15.0 t80 . . . . . 0 C--O 1.235 0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 11' ' ' MET . 49.7 m-80 -64.19 -51.47 63.59 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.665 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 22.7 t70 -52.48 -71.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.414 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.6 -70.86 0.07 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.73 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.4 m-20 -61.5 -65.37 0.7 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.359 -173.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.1 mmt -68.18 -42.7 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.256 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -73.48 -45.03 56.48 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.758 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -68.71 -23.17 64.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.933 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 57.6 mt -71.99 -48.6 43.68 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.13 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.17 -7.52 58.98 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 52.7 mm-40 -48.62 -41.92 32.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 111.236 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -61.62 -38.0 86.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.989 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -70.74 -43.32 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.719 -176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.26 -34.79 76.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.396 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.4 tttt -65.07 -48.72 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.2 -40.45 96.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.203 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.32 -38.84 84.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.986 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.61 -33.35 72.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.902 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 20' ' ' LYS . 79.8 mt -72.03 -38.3 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.515 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.91 -66.84 0.79 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.047 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.837 -176.541 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.32 0.581 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.78 100.63 49.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.84 -60.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.435 2.09 . . . . 0.0 113.614 -172.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 m -86.12 109.7 19.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.912 0.387 . . . . 0.0 111.2 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.2 -50.72 1.13 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.624 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.03 44.63 1.51 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.478 2.118 . . . . 0.0 113.035 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.2 pt -54.37 -33.39 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.592 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' O ' HD13 ' A' ' 44' ' ' LEU . 33.1 t70 -54.31 -52.06 62.69 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.604 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.49 -31.55 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.944 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 m -73.89 -33.45 64.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -82.26 -44.02 16.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 40' ' ' ASP . 9.8 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.076 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.565 HD22 HD23 ' A' ' 109' ' ' LEU . 2.1 tt . . . . . 0 C--O 1.236 0.359 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.3 mtm -127.18 138.53 53.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.245 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 131' ' ' VAL . 62.7 mtt -119.77 116.97 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.669 0.271 . . . . 0.0 110.858 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.66 98.64 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.506 HG21 HD13 ' A' ' 122' ' ' LEU . 13.4 t -89.92 106.32 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.018 -174.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.9 m -75.97 102.59 5.67 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.592 HG11 HG21 ' A' ' 80' ' ' ILE . 21.5 t -102.0 -62.34 2.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.058 0.456 . . . . 0.0 112.006 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -92.33 -55.18 3.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.127 -169.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.578 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 65.52 30.49 77.62 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.481 -173.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -116.97 165.47 15.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 122.736 0.414 . . . . 0.0 111.01 -171.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.7 -44.24 3.14 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.543 2.162 . . . . 0.0 112.242 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.612 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 7.0 p -73.83 91.4 1.95 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.415 0.626 . . . . 0.0 111.458 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.722 ' HG2' ' HB3' ' A' ' 102' ' ' SER . 32.7 mt-10 -55.49 -25.92 39.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.612 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.7 ptmm? -44.1 -46.88 8.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.479 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 42.7 mt-10 -65.03 -39.45 93.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.949 -173.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.6 m -65.47 -45.7 82.66 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.79 -52.45 65.0 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.254 0.549 . . . . 0.0 110.466 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 41.8 mt-10 -62.96 -47.68 82.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.435 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.592 HG21 HG11 ' A' ' 68' ' ' VAL . 9.8 tp -62.06 -38.62 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.6 m -63.83 -34.55 78.17 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.839 0.352 . . . . 0.0 110.421 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m -66.47 -41.34 89.16 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.544 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.01 -48.78 80.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.523 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 27.7 m0 -60.87 -42.88 98.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.651 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HG3' ' HD2' ' A' ' 97' ' ' ARG . 29.3 tt0 -52.59 -55.67 20.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.37 -53.92 42.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.104 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.9 m -54.99 -46.74 75.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.07 -43.69 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.26 -25.27 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.041 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.94 -21.26 63.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.075 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 14.83 30.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.491 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.1 m120 67.37 19.78 10.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.872 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -92.06 81.82 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.55 ' HB2' HH11 ' A' ' 110' ' ' ARG . 4.6 m-20 -69.54 77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.176 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -87.61 151.27 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.816 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 89.6 mm-40 -99.8 101.12 12.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.6 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -116.25 131.44 56.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.978 -170.034 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -138.44 159.04 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.365 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -101.9 89.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.666 0.746 . . . . 0.0 110.443 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 100' ' ' VAL . 24.3 m -115.16 112.44 39.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.001 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.78 103.95 2.65 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -169.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.722 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 16.3 m -48.71 -23.8 1.17 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.578 ' HB2' ' HA2' ' A' ' 70' ' ' GLY . 8.7 p-10 -100.41 -17.87 17.0 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -176.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.62 140.87 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.191 0.52 . . . . 0.0 111.932 -171.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.16 171.57 7.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.572 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 10.2 tt -126.63 131.36 71.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.751 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -122.0 109.87 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.465 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.5 ttp -93.41 129.61 39.5 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.565 HD23 HD22 ' A' ' 62' ' ' LEU . 4.0 mm? -94.31 153.12 18.17 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.197 0.522 . . . . 0.0 111.572 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.55 HH11 ' HB2' ' A' ' 94' ' ' ASP . 46.5 mtm180 -79.55 -52.75 7.61 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -105.63 -167.14 1.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.723 -174.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -138.23 21.7 3.11 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.288 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -87.07 -68.31 0.76 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.761 0.315 . . . . 0.0 110.713 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -89.78 12.52 16.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.716 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.21 -38.86 54.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.825 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.457 ' O ' ' HB3' ' A' ' 119' ' ' LYS . 8.1 m95 -69.57 -36.05 75.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.481 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.71 -37.99 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.482 HD13 HD11 ' A' ' 109' ' ' LEU . 15.0 tt -68.87 -34.65 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 116' ' ' TRP . 22.0 ttpp -53.74 -53.12 56.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.832 170.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.604 ' HA ' HG12 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -58.89 -45.06 91.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.929 178.221 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -51.79 -46.11 64.07 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.058 0.456 . . . . 0.0 110.673 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.506 HD13 HG21 ' A' ' 66' ' ' VAL . 74.7 mt -65.29 -49.79 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.219 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 120' ' ' ASP . 7.7 p -74.08 -15.79 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.448 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 72.1 m -64.92 -10.84 31.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.219 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.523 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 13.0 mm-40 -54.19 140.54 32.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.67 -36.13 75.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -81.15 6.68 13.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.317 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.1 m 59.77 81.41 0.17 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.616 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.07 97.19 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.105 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.36 129.02 34.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.05 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 64' ' ' MET . 5.3 p -117.52 128.69 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.09 -171.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.7 m -94.19 105.4 17.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.341 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 111.612 -176.62 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.659 0.266 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.491 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.0 m-20 -61.48 -52.05 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.92 -65.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -56.45 19.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.115 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.02 -45.88 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.657 -172.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 27.0 mmt -64.6 -38.29 90.51 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.854 178.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.84 -47.21 83.34 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -55.44 -42.64 74.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.321 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.35 -43.2 98.38 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.602 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 11' ' ' MET . 10.9 mp -74.46 -18.88 60.57 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.671 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 58.5 mt-10 -58.17 -25.93 62.11 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -60.28 -50.74 72.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.341 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -68.04 -41.64 81.79 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.632 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.25 -53.79 38.95 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.038 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -58.73 -41.14 85.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.263 -179.139 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.38 -49.7 76.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.277 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.84 -31.75 68.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.883 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.87 -45.26 28.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.948 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.625 HG12 ' O ' ' A' ' 20' ' ' LYS . 23.4 pt -76.67 -30.5 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.462 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.21 -23.14 20.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.158 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.858 176.341 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 tptm . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.818 0.342 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.486 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 3.2 ppt_? -76.89 143.02 70.22 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.173 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -62.27 -56.52 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.555 2.17 . . . . 0.0 111.808 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.5 p -130.47 144.44 51.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.167 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.555 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -76.08 -48.81 3.4 Favored Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 123.299 0.375 . . . . 0.0 111.648 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 82.3 Cg_endo -93.4 83.95 0.18 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.397 2.065 . . . . 0.0 112.104 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 39' ' ' ILE . 2.9 mp -62.76 -47.94 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.413 -177.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.32 -62.82 1.39 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.423 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.39 -38.21 88.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.489 -175.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 t -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.243 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -84.74 -43.33 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.326 . . . . 0.0 110.855 -174.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.236 0.353 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.292 -178.09 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -138.59 129.26 26.35 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.634 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 61.9 mtt -118.28 143.18 46.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.456 -176.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 124.51 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.745 HG21 HD13 ' A' ' 122' ' ' LEU . 43.3 t -116.3 113.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.081 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -77.08 108.45 10.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HB ' HG21 ' A' ' 80' ' ' ILE . 30.2 m -100.89 -45.74 11.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.157 -168.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 71' ' ' ASN . 55.9 p -92.02 -61.83 1.54 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.17 0.509 . . . . 0.0 110.477 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.73 -10.31 75.14 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -173.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 14.4 p-10 -127.08 158.16 69.84 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 123.375 0.67 . . . . 0.0 109.617 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.39 -18.96 67.01 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.25 2.633 . . . . 0.0 113.616 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.427 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 69.8 p -48.55 125.82 10.52 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.511 0.324 . . . . 0.0 111.686 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 19.8 mp0 -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.146 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -63.03 -59.52 4.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.329 -172.077 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 9.0 mm-40 -51.21 -55.39 18.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.067 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -64.27 -37.48 87.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.969 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.6 -55.99 27.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.557 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.69 -46.33 88.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.339 -174.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.579 HG21 ' HB ' ' A' ' 68' ' ' VAL . 11.0 tp -71.67 -42.01 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.317 -176.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 m -68.78 -34.38 75.45 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.747 0.308 . . . . 0.0 110.412 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.1 t -67.77 -39.99 84.06 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.74 -53.39 58.35 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.466 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.498 ' CZ2' ' HG3' ' A' ' 125' ' ' GLN . 26.6 m0 -65.09 -38.76 91.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -54.91 -39.93 69.3 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.21 -49.28 5.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.04 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 t -54.94 -49.79 70.47 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.822 0.449 . . . . 0.0 111.862 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.608 HD13 HG21 ' A' ' 95' ' ' VAL . 97.2 mt -61.59 -32.88 73.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.882 0.373 . . . . 0.0 110.864 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -88.72 -9.69 51.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -80.83 -44.72 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.57 -12.04 59.99 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.323 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.83 78.47 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.482 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -124.68 130.59 52.7 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.9 91.08 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.343 0.592 . . . . 0.0 110.245 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.608 HG21 HD13 ' A' ' 88' ' ' LEU . 36.0 m -136.94 153.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.358 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.654 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 14.9 mm100 -101.51 110.08 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.8 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -111.8 121.29 44.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -177.118 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 98.4 m-85 -136.03 142.25 44.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.461 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 tt -96.22 90.78 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.464 0.649 . . . . 0.0 110.196 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.27 128.74 76.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.587 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.44 101.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.1 p -55.03 -15.62 2.22 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -171.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.92 -29.04 62.82 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.213 0.53 . . . . 0.0 110.822 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.537 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -142.11 -175.54 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.253 0.549 . . . . 0.0 111.816 -170.438 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.54 152.21 45.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.09 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.41 137.48 45.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.97 0.414 . . . . 0.0 111.007 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -127.76 106.91 9.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.335 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.654 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 68.3 mtm -95.64 114.94 26.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.6 mt -78.48 129.52 34.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.348 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -74.48 -44.59 50.78 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -116.28 131.57 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.373 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.41 3.94 69.44 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.464 -173.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -73.62 -28.28 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.16 0.48 . . . . 0.0 110.587 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -95.05 16.18 16.97 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.579 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' HG22 ' A' ' 118' ' ' ILE . . . -56.65 -59.26 5.26 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -173.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.02 -36.25 81.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -176.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -62.41 -45.15 94.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 15.0 tt -69.84 -35.31 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.166 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -52.98 -54.65 31.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.951 0.405 . . . . 0.0 110.157 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.577 ' HA ' HG12 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -60.25 -44.43 95.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.796 178.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -54.0 -40.64 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 0.0 110.86 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.745 HD13 HG21 ' A' ' 66' ' ' VAL . 80.6 mt -74.97 -44.09 50.31 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.17 -178.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 120' ' ' ASP . 7.1 p -79.12 -13.96 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.306 . . . . 0.0 111.762 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.9 m -74.6 -4.51 37.55 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 122.245 -0.284 . . . . 0.0 111.345 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.498 ' HG3' ' CZ2' ' A' ' 84' ' ' TRP . 17.7 mm-40 -69.4 143.5 53.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.86 -22.11 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.75 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -55.79 -23.81 32.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.827 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.1 t 60.12 43.16 14.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.695 0.76 . . . . 0.0 109.177 -173.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.83 135.86 48.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.846 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 6.7 mm-40 -81.2 112.65 18.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.08 118.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.186 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.9 p -132.17 148.39 52.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.768 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.634 ' HG ' ' HG2' ' A' ' 64' ' ' MET . 5.4 mp . . . . . 0 C--N 1.331 -0.231 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.8 t80 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 11' ' ' MET . 95.3 m-20 -53.99 -65.23 0.61 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.196 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.646 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -50.42 -67.58 0.24 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.659 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.72 -70.43 0.09 Allowed 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.116 0.484 . . . . 0.0 111.155 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.481 ' O ' HD13 ' A' ' 14' ' ' LEU . 26.8 t70 -70.12 -58.02 4.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.143 -172.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.52 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 tpp -66.06 -35.94 81.89 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.919 -170.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -74.52 -33.02 62.69 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.556 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -61.95 -44.22 97.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.814 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 10' ' ' ASP . 11.2 mp -64.31 -52.86 56.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.2 mt -78.44 -6.05 54.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.812 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -52.6 -30.11 29.5 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -56.06 -43.26 77.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -78.42 -42.22 30.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.837 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.21 -53.32 59.14 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.269 0.557 . . . . 0.0 109.584 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 24' ' ' ILE . 24.3 ttmm -56.51 -43.72 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.215 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 27.8 t70 -51.63 -54.63 25.75 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.693 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.97 -37.96 84.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -69.33 -21.1 63.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.148 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.3 mt -86.92 -37.53 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.0 109.917 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 20.8 mm-40 -61.96 -30.52 70.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.41 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.564 173.86 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -70.98 148.74 94.65 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.45 -20.43 68.43 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.937 2.425 . . . . 0.0 112.84 -176.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 m -130.12 107.97 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 -50.92 0.28 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 64.9 Cg_exo -51.58 102.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.496 2.13 . . . . 0.0 112.8 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.02 -47.32 93.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.747 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HD13 ' A' ' 44' ' ' LEU . 8.9 p-10 -58.92 -45.13 91.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.528 ' HB2' ' HB2' ' A' ' 38' ' ' PRO . 56.7 m-85 -59.88 -47.03 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.454 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.8 t -61.92 -28.88 69.84 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -84.39 -28.42 26.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 40' ' ' ASP . 10.8 mp . . . . . 0 N--CA 1.467 0.392 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.501 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.4 HD11 HD12 ' A' ' 109' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.627 ' SD ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -133.52 145.09 49.82 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.563 0.697 . . . . 0.0 112.147 -171.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.482 ' HG2' HD23 ' A' ' 133' ' ' LEU . 63.0 mtt -117.25 124.73 49.77 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.183 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 106' ' ' ILE . 75.8 m-85 -87.09 114.1 23.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 66' ' ' VAL . 29.8 m -111.42 107.54 23.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.191 0.52 . . . . 0.0 111.322 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 27.1 m -77.09 106.91 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.691 HG11 HG21 ' A' ' 80' ' ' ILE . 24.5 t -102.95 -60.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.277 0.561 . . . . 0.0 111.454 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.589 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 19.3 m -75.25 -57.28 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 -171.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.36 64.02 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.884 -174.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.589 ' ND2' ' HB3' ' A' ' 69' ' ' SER . 9.1 p30 -109.98 160.83 26.67 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.875 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 81.6 Cg_endo -78.3 -24.17 8.15 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.593 2.195 . . . . 0.0 112.95 -177.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.423 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 15.7 p -65.76 100.31 0.53 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.385 0.612 . . . . 0.0 110.482 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 77' ' ' THR . 42.9 tt0 -63.12 -26.1 68.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.6 -172.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.4 ptmt -42.91 -34.4 0.96 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.822 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.37 -52.59 25.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.514 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.3 t -64.41 -32.1 73.58 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.123 -178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.57 -52.32 66.06 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 83' ' ' LEU . 75.5 mm-40 -53.06 -62.46 1.64 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.161 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.691 HG21 HG11 ' A' ' 68' ' ' VAL . 10.3 tp -59.74 -38.44 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.685 -172.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.5 m -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -63.53 -47.71 80.51 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.671 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.9 mp -60.89 -42.13 97.4 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.451 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 6.5 m0 -62.82 -57.18 11.77 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.71 -37.07 70.43 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.373 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.84 -32.77 78.33 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.358 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.443 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 23.3 t -86.59 -21.44 26.83 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.156 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 95.7 mt -89.54 -47.98 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.585 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.41 -23.19 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -175.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 32.8 p30 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.299 0.571 . . . . 0.0 109.818 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.07 9.63 38.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.115 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 72.58 19.15 4.19 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.663 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.405 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . 9.0 m-30 -78.15 95.58 4.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.447 177.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.34 89.57 5.55 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.357 0.599 . . . . 0.0 109.961 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.1 144.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.904 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -101.36 120.1 39.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 -177.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.704 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -118.27 131.34 56.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.966 -174.61 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -126.65 142.58 51.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.409 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 tt -95.35 99.66 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.508 0.671 . . . . 0.0 110.633 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 100' ' ' VAL . 17.1 m -128.62 111.27 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.358 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.69 103.99 1.86 Allowed Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.006 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.7 m -53.95 -13.85 0.87 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.499 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 8.2 p-10 -99.24 -3.53 34.02 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.811 0.338 . . . . 0.0 111.343 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.401 ' HB3' ' HA ' ' A' ' 67' ' ' THR . 17.5 ptp180 -151.21 178.28 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.305 0.574 . . . . 0.0 111.968 -170.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.17 162.51 36.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.807 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.419 HD12 ' CE2' ' A' ' 65' ' ' PHE . 14.7 tt -123.33 127.57 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 178.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -112.21 106.66 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.094 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -78.34 122.26 25.53 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 168.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.4 HD12 HD11 ' A' ' 62' ' ' LEU . 54.5 mt -95.63 103.4 15.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.8 -39.64 56.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.952 -173.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -108.35 111.58 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.186 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.81 -3.79 90.42 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.691 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.4 m -54.17 -25.54 23.07 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.677 0.275 . . . . 0.0 111.129 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -130.91 28.69 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.829 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.11 -57.71 11.03 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.401 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.526 ' HE3' ' HA ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -67.52 -26.55 66.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.088 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.43 -47.34 70.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.733 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.8 tt -70.87 -30.12 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 123' ' ' VAL . 1.1 tmmt? -60.17 -46.53 89.38 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.646 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -63.32 -38.14 89.98 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.117 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.65 -42.05 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.92 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -42.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 119' ' ' LYS . 84.3 t -67.41 -31.59 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 110.493 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -74.24 -22.67 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.499 ' NE2' HD11 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -63.78 126.72 28.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.106 0.479 . . . . 0.0 110.738 -177.584 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.63 -25.8 63.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.513 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.563 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 4.2 mmp_? -100.33 19.41 16.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.254 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 54.1 t -92.51 122.14 34.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.804 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' THR . . . -94.53 -55.46 3.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 111.044 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.54 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 37.6 mt-10 -140.6 138.09 34.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.615 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.91 125.87 67.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.4 m -128.29 109.95 11.94 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.221 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 64' ' ' MET . 3.3 tm? . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 11' ' ' MET . 42.5 m-80 -54.84 -60.99 2.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.09 -62.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.671 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.54 -63.28 1.22 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.879 0.371 . . . . 0.0 111.847 -174.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 1.8 m-20 -66.54 -52.78 41.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.873 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.454 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 46.1 ttm -65.05 -32.06 73.59 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.782 -172.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.36 67.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.838 0.351 . . . . 0.0 110.155 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' C ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.18 -34.26 66.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.196 179.401 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.01 -38.52 16.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.613 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -121.59 35.87 4.77 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -8.64 1.68 Allowed 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.379 -0.201 . . . . 0.0 111.38 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -34.49 43.75 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 176.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -77.26 -42.96 35.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.481 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.51 -37.47 77.17 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.281 0.563 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.37 -47.47 79.15 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.733 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.18 -53.19 60.9 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.43 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -57.83 -47.5 82.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.43 -47.12 76.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 111.11 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -75.53 -53.19 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.529 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.22 -48.28 76.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.688 -174.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.264 -178.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.796 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.632 0.253 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 104.95 2.51 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.16 -57.01 1.46 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.225 2.617 . . . . 0.0 113.878 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -120.27 115.65 24.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 -175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.16 -50.59 0.54 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.34 28.64 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 122.456 2.104 . . . . 0.0 113.37 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.1 pt -62.19 -28.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.752 0.311 . . . . 0.0 110.729 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -68.16 -45.18 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.05 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -62.17 -34.27 76.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 0.0 109.809 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -73.26 -30.67 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.264 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.55 -47.3 76.33 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.616 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 177.693 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.462 0.157 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 63' ' ' MET . 1.1 pmm? -107.73 149.91 27.59 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.493 0.663 . . . . 0.0 110.983 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.1 mtt -129.38 153.99 47.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.327 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -113.57 106.85 15.03 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.527 HG13 HG22 ' A' ' 131' ' ' VAL . 28.7 t -88.38 104.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.75 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -76.81 103.6 6.86 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.702 HG11 HG21 ' A' ' 80' ' ' ILE . 24.7 t -101.36 -62.53 2.0 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.568 -172.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.0 p -92.57 -61.5 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.266 -174.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.73 9.21 81.57 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.63 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 1.8 p-10 -126.81 163.24 42.43 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 123.219 0.608 . . . . 0.0 109.663 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.63 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 60.0 Cg_endo -70.19 -26.2 25.81 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.582 2.188 . . . . 0.0 114.015 -168.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.473 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 4.5 p -62.81 90.16 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.37 0.605 . . . . 0.0 111.0 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.45 -21.33 66.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.186 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -54.19 -48.29 71.15 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.5 -178.286 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.33 -45.62 92.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.981 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.8 m -64.01 -39.36 93.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -48.58 74.61 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.098 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.85 -54.39 46.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.855 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.702 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -62.42 -36.96 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.789 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -30.04 68.01 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.693 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.5 m -68.84 -39.21 80.08 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.99 0.424 . . . . 0.0 109.912 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.74 -43.68 95.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.155 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.42 ' HE1' ' NE2' ' A' ' 125' ' ' GLN . 34.6 m0 -64.84 -37.98 89.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.501 176.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.512 ' HG2' HH11 ' A' ' 97' ' ' ARG . 0.6 OUTLIER -54.62 -56.43 19.12 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.6 -55.5 30.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.231 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -55.15 -52.92 61.75 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.423 0.289 . . . . 0.0 111.703 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.11 -47.5 85.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.646 0.26 . . . . 0.0 111.147 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.09 -29.32 69.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 0.0 110.612 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.59 -19.54 60.85 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.063 0.458 . . . . 0.0 109.81 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.03 13.88 19.45 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.606 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 73.49 16.09 4.07 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.037 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -75.73 121.56 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.723 0.296 . . . . 0.0 110.285 174.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -98.96 38.48 1.38 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.679 0.752 . . . . 0.0 109.481 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 m -87.06 170.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.764 -176.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.628 ' HB3' ' HB2' ' A' ' 108' ' ' MET . 6.7 tp-100 -117.17 153.2 33.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -154.39 143.48 21.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.516 0.198 . . . . 0.0 110.899 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -141.56 150.07 41.61 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 tt -101.08 107.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.047 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 100' ' ' VAL . 4.8 p -145.65 106.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.53 98.79 1.28 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -170.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 m -47.25 -30.48 3.07 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.69 -44.66 85.97 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.884 0.374 . . . . 0.0 111.777 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 ptp85 -134.85 137.61 43.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.145 -167.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.18 130.02 46.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.9 tt -93.43 119.79 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.972 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -111.13 118.23 35.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.384 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.628 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.0 mtt -94.7 106.52 18.5 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.006 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 118' ' ' ILE . 35.9 mt -93.69 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.102 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -63.84 -52.33 60.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.237 0.541 . . . . 0.0 110.453 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -164.13 -174.69 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.623 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.18 44.7 3.21 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.741 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 p -86.04 -70.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.89 23.5 12.76 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.661 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.24 -47.7 71.93 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.641 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -30.0 67.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.558 -178.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.61 -51.93 30.59 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.519 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.9 tt -65.56 -41.16 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HG3' ' HB ' ' A' ' 131' ' ' VAL . 60.8 tttp -56.82 -45.14 82.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.037 176.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.14 -54.1 50.64 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.815 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -51.78 -49.14 63.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.456 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 87.6 mt -65.34 -37.6 87.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.236 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 119' ' ' LYS . 94.8 t -78.04 -22.03 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 110.808 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.7 m -70.36 -0.31 7.95 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.593 ' NE2' HD11 ' A' ' 80' ' ' ILE . 13.4 mm-40 -55.67 139.41 44.85 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.027 0.442 . . . . 0.0 110.701 176.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.64 -34.73 78.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.702 -174.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.64 4.95 19.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.08 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.0 t 70.27 155.51 0.14 Allowed 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.129 0.572 . . . . 0.0 111.344 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -170.85 -173.82 1.43 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.246 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.15 144.94 19.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.867 0.365 . . . . 0.0 110.244 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.555 ' HB ' ' HG3' ' A' ' 119' ' ' LYS . 43.2 t -121.87 110.25 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.871 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.1 p -95.28 147.13 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -177.315 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.099 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' A' ' 11' ' ' MET . 34.5 m-80 -55.66 -63.36 1.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -47.83 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.166 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 -55.38 33.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.7 t70 -74.11 -45.46 48.9 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.536 -169.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.552 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 ttm -72.18 -38.68 69.04 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.579 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.8 95.48 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.636 -0.425 . . . . 0.0 109.963 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.0 ttp-105 -63.0 -35.52 80.49 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.06 -52.37 36.01 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.7 -10.48 59.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.264 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.37 -46.19 55.82 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.087 0.47 . . . . 0.0 110.204 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.61 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 49.4 mt-30 -59.78 -52.86 63.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -56.77 -41.32 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.25 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.15 -60.23 3.0 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.94 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HE3' ' HA ' ' A' ' 17' ' ' GLN . 22.3 pttp -62.13 -45.16 94.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.11 -41.54 97.22 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.53 -45.37 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.4 -50.08 66.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.293 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.6 mt -61.82 -48.24 89.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.412 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.31 -42.45 79.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.628 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.121 0.486 . . . . 0.0 112.014 176.408 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.2 tttp . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.522 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -75.85 108.58 6.2 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.457 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.32 -32.36 95.88 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.709 2.273 . . . . 0.0 112.812 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -69.43 111.87 5.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -64.66 -51.63 57.28 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.743 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 93.0 Cg_endo -80.1 89.86 1.29 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.861 1.707 . . . . 0.0 111.141 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.02 -28.14 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.361 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.95 -42.99 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' HD1' ' HB2' ' A' ' 38' ' ' PRO . 82.6 m-85 -65.38 -32.38 73.99 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.949 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -76.08 -38.22 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.115 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -67.08 -46.46 74.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.727 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.153 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 109' ' ' LEU . 1.5 tm? . . . . . 0 C--O 1.231 0.098 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 ptp -135.24 154.47 51.56 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.238 0.542 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.57 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 53.6 mtt -128.94 124.5 35.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.173 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -95.01 104.54 16.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.64 HG21 HD13 ' A' ' 122' ' ' LEU . 16.7 t -100.53 108.44 23.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.72 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 t -79.34 101.1 7.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.292 0.568 . . . . 0.0 109.918 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.593 HG11 HG21 ' A' ' 80' ' ' ILE . 22.5 t -103.17 -44.36 9.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.542 -171.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.645 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 33.1 t -75.24 -71.0 0.39 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.37 10.11 40.46 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.752 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 35.1 t30 -125.88 127.79 24.69 Favored Pre-proline 0 C--O 1.234 0.261 0 C-N-CA 123.243 0.617 . . . . 0.0 109.799 -176.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 71' ' ' ASN . 40.8 Cg_exo -58.27 -23.5 62.85 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.85 2.367 . . . . 0.0 112.93 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -84.44 118.24 24.15 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.6 -10.48 35.91 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 15.3 ptmm? -44.8 -44.82 9.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.661 0.267 . . . . 0.0 111.681 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.62 -51.51 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.503 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.3 t -68.19 -33.76 75.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.74 -54.86 24.83 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 35.1 mm-40 -55.61 -53.3 58.13 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.965 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.593 HG21 HG11 ' A' ' 68' ' ' VAL . 9.9 tp -67.75 -42.72 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.674 -172.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 HE21 ' A' ' 85' ' ' GLN . 97.3 m -67.77 -38.19 83.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.397 0.141 . . . . 0.0 110.994 -177.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.4 p -68.54 -49.41 59.76 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.741 0.305 . . . . 0.0 110.499 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.37 -44.78 89.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.485 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 5.6 m0 -61.45 -59.08 5.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.41 HE21 HG22 ' A' ' 81' ' ' THR . 11.0 pt20 -56.71 -36.72 70.0 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 110.626 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.45 -49.79 58.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.576 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 t -57.56 -43.11 84.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.889 0.476 . . . . 0.0 110.968 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 82.5 mt -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.32 -20.14 55.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -69.16 -33.72 73.85 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.1 -2.54 56.93 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.544 174.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 73.73 20.64 2.94 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.312 174.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -87.27 98.33 11.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -68.52 85.36 0.29 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.224 0.535 . . . . 0.0 111.079 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.22 160.03 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.892 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.68 145.23 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.45 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.61 139.75 23.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -137.03 156.56 48.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.1 tt -122.95 90.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.632 0.729 . . . . 0.0 110.391 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 100' ' ' VAL . 16.6 m -113.64 99.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.561 177.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.433 ' HA3' ' NH1' ' A' ' 104' ' ' ARG . . . 98.53 102.16 2.27 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.8 t -49.83 -18.08 0.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.645 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 23.0 t70 -73.29 -43.53 60.8 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.485 ' HD3' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -129.92 140.51 50.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.227 0.537 . . . . 0.0 112.139 -172.087 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.44 137.22 40.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.248 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.71 118.28 54.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -103.92 123.09 46.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.081 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 55.4 ttp -103.23 120.03 39.98 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.502 ' HB2' HD12 ' A' ' 62' ' ' LEU . 2.3 mm? -100.96 132.45 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.622 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -74.92 -28.01 60.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.312 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -121.14 148.9 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.525 -176.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.61 -5.75 33.66 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.718 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.7 t -73.25 -40.4 64.67 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.812 0.306 . . . . 0.0 110.243 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.403 ' O ' HG22 ' A' ' 118' ' ' ILE . 5.2 t80 -83.39 -2.23 55.3 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.05 71.62 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.05 -41.53 67.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.649 0.262 . . . . 0.0 111.14 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -49.46 75.31 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 8.7 tp -67.36 -35.67 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.426 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -54.41 -53.59 52.03 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.07 0.462 . . . . 0.0 110.123 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.57 ' HA ' HG12 ' A' ' 123' ' ' VAL . 2.9 m-20 -64.5 -36.49 84.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.675 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.48 -48.74 79.79 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.64 HD13 HG21 ' A' ' 66' ' ' VAL . 90.5 mt -65.46 -48.92 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.325 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 120' ' ' ASP . 12.3 p -70.36 -24.34 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.724 0.297 . . . . 0.0 111.267 -176.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -75.16 -3.11 30.97 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.096 -178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.502 ' NE2' HD11 ' A' ' 80' ' ' ILE . 6.6 tp-100 -60.56 147.68 40.73 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.364 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.94 -20.89 60.0 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -79.24 -16.42 56.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.438 0.161 . . . . 0.0 111.148 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.2 t 58.57 87.28 0.08 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.209 0.528 . . . . 0.0 110.14 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -110.2 135.96 50.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.844 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.76 118.35 22.8 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.981 0.419 . . . . 0.0 110.097 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.447 HG23 HG22 ' A' ' 66' ' ' VAL . 2.7 p -95.93 97.85 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.495 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.9 m -89.55 99.39 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.972 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.57 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 3.9 pp . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.692 0.282 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -60.23 -50.74 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -52.15 -64.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.384 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -55.72 20.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.703 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.53 -47.92 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.622 -173.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.432 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 16.6 mmt -65.87 -45.3 82.62 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.222 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.61 87.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.27 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.708 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 85.2 mtt180 -79.28 -12.24 59.95 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.163 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -71.99 -52.67 15.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.551 ' HA ' ' NE1' ' A' ' 18' ' ' TRP . 10.3 mp -64.06 -53.61 47.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.805 -177.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 10.4 pt-20 -61.28 -21.54 64.02 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 14.4 mm-40 -77.76 -55.74 5.08 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.279 -0.168 . . . . 0.0 111.365 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 15' ' ' LEU . 55.2 p-90 -69.27 -22.31 63.83 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.749 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -66.35 -52.62 45.16 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.655 172.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -54.24 -45.37 72.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 109.998 177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.393 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.71 -18.82 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.764 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.48 -35.39 46.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 109.908 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pp -91.25 -15.32 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.817 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.05 -59.27 2.24 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.361 0.601 . . . . 0.0 109.983 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.941 179.762 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.041 0.448 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 40' ' ' ASP . 37.2 ttt85 -95.99 115.36 65.5 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.078 -175.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.86 -36.37 50.85 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.627 2.218 . . . . 0.0 112.566 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.088 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -111.18 -60.3 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.323 175.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 34.7 Cg_exo -60.14 -61.65 0.19 Allowed 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.923 1.748 . . . . 0.0 112.509 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.552 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.0 mp -58.97 -37.02 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 34' ' ' ARG . 14.8 t70 -54.18 -71.27 0.08 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.878 -177.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -56.15 -45.98 79.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.217 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.8 m -60.04 -32.34 70.82 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -76.87 -39.9 49.43 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 110.213 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 177.525 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 tp . . . . . 0 N--CA 1.458 -0.04 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 ptp -140.04 139.65 36.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.245 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.456 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 62.6 mtt -116.54 118.44 32.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -87.86 102.58 14.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.599 HG21 HD13 ' A' ' 122' ' ' LEU . 21.3 t -103.85 102.89 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.67 0.271 . . . . 0.0 110.822 -177.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.657 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 35.1 m -73.23 98.88 2.72 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.983 0.42 . . . . 0.0 109.98 177.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' HB ' HD13 ' A' ' 80' ' ' ILE . 28.0 m -102.41 -37.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.522 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.746 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.8 t -66.05 -71.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -168.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.2 52.42 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.497 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -126.29 132.74 24.43 Favored Pre-proline 0 C--O 1.234 0.278 0 C-N-CA 123.224 0.609 . . . . 0.0 109.507 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.23 -39.75 87.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.971 2.447 . . . . 0.0 113.125 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.8 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -75.6 133.41 40.91 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.729 0.299 . . . . 0.0 111.077 -177.284 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.62 -19.73 62.58 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.979 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.8 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 56.9 pttt -47.17 -54.92 9.49 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.489 ' HG2' ' HG3' ' A' ' 75' ' ' LYS . 6.5 mm-40 -64.02 -50.86 66.81 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 111.243 -171.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.746 ' HB ' ' HB2' ' A' ' 69' ' ' SER . 12.7 t -61.48 -36.72 81.24 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.416 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.23 -43.02 92.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 25.1 mm-40 -57.98 -62.12 2.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.706 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.439 HD13 ' HB ' ' A' ' 68' ' ' VAL . 15.2 tt -62.38 -40.38 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -66.89 -36.07 81.45 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.282 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.9 m -69.8 -40.0 76.24 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 110.484 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.2 -50.13 74.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.519 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.4 m0 -62.11 -45.02 95.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.791 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.424 ' HG3' ' HG3' ' A' ' 97' ' ' ARG . 51.9 tt0 -50.6 -48.07 57.93 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.856 0.36 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.68 -52.98 44.71 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.139 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -62.69 -33.09 74.37 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -174.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 79.7 mt -66.46 -47.7 72.3 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.891 0.377 . . . . 0.0 110.206 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -70.13 -26.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.546 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -69.86 -27.76 65.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.18 0.514 . . . . 0.0 109.946 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.27 6.35 43.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.392 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 65.23 20.88 12.01 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.089 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.17 96.84 1.13 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -72.05 85.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.962 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.45 169.12 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.639 -174.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.826 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 14.8 mm100 -105.65 100.89 10.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.186 173.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.505 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -91.2 120.57 32.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.283 -178.649 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.438 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 85.5 m-85 -141.86 161.26 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.862 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.9 tt -127.58 104.35 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.205 0.526 . . . . 0.0 110.731 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 100' ' ' VAL . 5.9 p -114.8 106.57 20.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.19 102.64 1.86 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -168.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 m -44.06 -34.38 1.74 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -170.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.74 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 39.7 m-20 -76.0 -23.58 55.26 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -175.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 38.7 ptt180 -124.03 132.36 53.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 0.0 112.138 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.39 127.63 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 64' ' ' MET . 5.5 tt -99.49 114.36 37.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.305 0.574 . . . . 0.0 110.83 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.29 102.59 14.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.774 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.826 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 46.3 ttm -81.93 105.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 118' ' ' ILE . 65.9 mt -78.91 120.41 23.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.862 -177.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.21 -18.03 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.077 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -161.19 164.89 30.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.8 9.3 27.74 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-O 119.657 -0.524 . . . . 0.0 114.328 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 m -60.3 -27.09 67.03 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 117.996 0.898 . . . . 0.0 111.292 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -112.77 16.68 19.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.49 70.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.565 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -70.11 -29.41 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.429 -178.598 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.89 -48.71 52.23 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.878 0.371 . . . . 0.0 110.06 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.976 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.59 -45.89 81.13 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.65 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.891 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -52.23 -42.47 63.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.042 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.599 HD13 HG21 ' A' ' 66' ' ' VAL . 84.6 mt -65.42 -48.28 73.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.734 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 m -81.44 -3.44 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.876 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 m -60.28 -30.92 69.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.699 175.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -93.12 140.22 29.74 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.165 0.507 . . . . 0.0 110.352 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.92 0.22 21.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.505 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -92.53 7.28 43.87 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.44 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.42 112.28 23.84 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.32 -45.96 10.74 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 111.737 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.657 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 9.5 tp10 -145.28 146.79 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.205 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.529 HG23 HG22 ' A' ' 66' ' ' VAL . 3.9 p -148.16 103.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.268 0.556 . . . . 0.0 110.252 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -111.32 119.6 39.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.699 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.5 pp . . . . . 0 C--O 1.235 0.337 0 CA-C-O 120.933 0.397 . . . . 0.0 110.34 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.521 ' O ' ' HB3' ' A' ' 11' ' ' MET . 84.3 m-20 -53.3 -58.31 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.829 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.579 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.8 t70 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.333 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.5 -68.5 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.93 -54.22 29.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.688 -171.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.521 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -70.69 -41.65 71.73 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.833 -170.688 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.92 -37.03 70.13 Favored 'General case' 0 N--CA 1.461 0.08 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.634 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -66.78 -32.43 73.71 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.012 0.434 . . . . 0.0 110.1 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.2 tp -71.56 -41.79 68.65 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 176.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.85 -4.04 57.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.702 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -48.79 -50.55 33.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.801 0.334 . . . . 0.0 110.606 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 23.1 tm0? -61.36 -41.63 97.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -61.71 -42.04 98.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.71 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.12 -44.98 62.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.005 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -66.1 -35.24 79.97 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.259 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.51 -50.8 69.96 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.257 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 38.7 t70 -60.83 -40.62 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.925 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.93 -43.42 86.26 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.368 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 20' ' ' LYS . 81.5 mt -61.95 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -77.45 -7.76 56.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.98 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 43.6 mt-10 . . . . . 0 N--CA 1.464 0.27 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 168.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.58 ' O ' ' HD3' ' A' ' 35' ' ' PRO . 34.8 ttpt . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 4.2 tmm_? -100.81 100.23 12.2 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 122.125 0.17 . . . . 0.0 110.72 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 53.1 Cg_endo -92.31 -2.62 3.93 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.255 2.637 . . . . 0.0 112.783 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 p -79.78 113.79 18.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.575 -174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.561 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -92.29 -50.1 0.3 Allowed Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 4.4 Cg_exo -77.13 101.04 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.129 1.886 . . . . 0.0 111.702 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 40' ' ' ASP . 2.7 pp -68.1 -16.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.315 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.494 ' N ' HD12 ' A' ' 39' ' ' ILE . 16.8 t70 -47.62 -56.02 8.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.95 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.83 -33.43 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.968 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -77.12 -31.2 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.902 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' NZ ' ' HB3' ' A' ' 43' ' ' LYS . 8.0 mtpm? -90.5 -34.41 15.57 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.608 0.242 . . . . 0.0 111.409 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.111 -178.359 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -135.62 147.63 48.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.3 mtt -129.82 122.21 28.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -86.97 104.86 16.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG22 HG13 ' A' ' 131' ' ' VAL . 22.1 t -98.61 104.79 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.345 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -85.82 104.97 15.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.469 0.652 . . . . 0.0 109.661 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.656 HG11 HG21 ' A' ' 80' ' ' ILE . 17.2 t -102.61 -58.82 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.604 -172.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.541 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.2 t -72.25 -70.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.719 -171.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.96 -4.51 45.71 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.668 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.679 ' ND2' ' HD2' ' A' ' 72' ' ' PRO . 3.6 t-20 -111.48 133.75 21.37 Favored Pre-proline 0 C--O 1.234 0.281 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.679 ' HD2' ' ND2' ' A' ' 71' ' ' ASN . 80.2 Cg_exo -48.56 -19.66 2.14 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.358 2.705 . . . . 0.0 114.052 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.641 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 77.1 p -67.87 100.53 0.96 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.817 0.341 . . . . 0.0 110.614 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -57.8 -28.87 64.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.641 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.9 ptmm? -47.18 -43.97 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.454 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.74 -53.09 61.62 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.417 ' HA ' HG22 ' A' ' 80' ' ' ILE . 14.7 t -70.81 -37.47 73.24 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.72 -176.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.63 -51.34 65.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.074 0.464 . . . . 0.0 110.337 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 45.7 mt-10 -61.81 -46.79 87.99 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.094 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.656 HG21 HG11 ' A' ' 68' ' ' VAL . 11.3 tp -65.96 -39.6 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.978 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.7 m -64.22 -38.76 92.2 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.821 0.343 . . . . 0.0 110.539 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.8 m -63.92 -40.01 95.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.427 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.1 mt -60.72 -49.61 76.81 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.19 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -60.48 -40.96 93.19 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.679 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -52.24 -52.16 54.17 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.34 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.12 95.27 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.345 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.421 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 40.3 m -75.55 -20.4 58.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -94.91 -46.52 6.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.095 0.474 . . . . 0.0 110.691 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 86.0 m-85 -81.83 -2.69 51.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.958 -173.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 36.2 p30 -74.5 -27.48 60.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -103.64 14.68 30.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.698 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 44.35 63.54 1.62 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.669 -1.151 . . . . 0.0 113.267 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -87.89 109.18 19.59 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.44 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 4.5 m-20 -69.05 81.75 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.452 0.644 . . . . 0.0 110.737 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.7 m -131.61 156.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.875 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -115.14 140.76 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.161 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.61 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -135.38 131.5 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.692 -174.13 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -119.58 127.9 53.4 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 99' ' ' ILE . 8.3 tp -91.35 91.59 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.816 0.817 . . . . 0.0 110.155 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.17 137.47 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.247 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.07 103.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -51.89 -15.98 0.62 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.541 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.5 p-10 -100.31 -20.92 15.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 111.58 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -135.8 177.46 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.634 0.731 . . . . 0.0 112.329 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.6 138.63 23.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.09 172.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.9 tt -105.54 122.23 58.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.252 0.548 . . . . 0.0 111.23 -176.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -102.85 108.95 20.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.97 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 61.3 ttp -92.7 108.2 19.8 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.5 mt -84.6 134.97 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.294 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 94' ' ' ASP . 98.8 mtt180 -74.96 -20.4 59.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.117 0.484 . . . . 0.0 110.045 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -159.85 151.81 20.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.431 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.86 5.52 82.06 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.407 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -52.71 -36.61 57.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.466 0.306 . . . . 0.0 111.785 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -112.19 16.89 19.93 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 110.508 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.64 -57.69 11.82 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -172.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -62.93 -40.87 98.93 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.25 -47.14 80.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.322 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 14.2 tt -65.44 -35.44 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 123' ' ' VAL . 12.9 ttmm -54.89 -61.93 1.99 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.964 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -63.59 -30.81 71.87 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.225 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -57.14 -47.87 80.09 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 66.7 mt -66.54 -35.81 81.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.038 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 119' ' ' LYS . 61.0 t -70.02 -26.53 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.162 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.5 m -63.4 -10.21 15.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -70.15 149.23 47.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -62.63 -38.38 90.01 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.483 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 5.3 tpm_? -62.6 -29.09 70.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.2 t 65.78 120.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.687 0.617 . . . . 0.0 110.666 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.92 134.1 47.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -86.5 116.91 24.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.309 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.536 HG13 HG22 ' A' ' 66' ' ' VAL . 38.6 t -98.39 97.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.219 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.2 p -93.63 123.07 36.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 133' ' ' LEU . 3.3 pp . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.549 0.214 . . . . 0.0 111.18 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 11' ' ' MET . 4.8 m-20 -54.76 -54.69 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.089 178.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 21.7 t70 -53.66 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.253 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.14 -65.67 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 111.495 -175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.14 -58.86 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.794 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.564 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 28.9 mmt -66.58 -24.43 66.34 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.285 -170.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -75.63 -64.68 1.02 Allowed 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.839 171.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.508 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 3.1 mmp_? -57.3 -12.57 2.5 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -174.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.9 mt -107.32 -52.51 2.75 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.5 18.19 12.84 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.6 -23.73 42.86 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.103 -0.373 . . . . 0.0 111.196 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -45.37 -48.71 13.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.113 0.483 . . . . 0.0 111.137 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -78.73 -43.67 25.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.469 -171.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -77.35 -27.84 52.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.042 0.449 . . . . 0.0 110.865 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -77.53 -37.36 51.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.27 -44.88 96.5 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -32.91 74.83 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.981 175.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.18 -38.57 91.53 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.058 0.456 . . . . 0.0 110.683 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.23 -26.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -76.02 -43.33 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.408 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.872 -175.686 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 65.2 tttp . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.502 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 20.6 tpp180 -55.82 113.73 6.21 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 122.363 0.265 . . . . 0.0 110.438 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.502 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 50.9 Cg_exo -55.06 -29.63 66.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.897 2.398 . . . . 0.0 112.726 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.414 ' OG ' HD12 ' A' ' 39' ' ' ILE . 25.4 p -100.45 108.67 20.72 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -61.38 -48.81 90.01 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.845 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 80.7 Cg_exo -47.82 -47.22 19.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 122.25 1.967 . . . . 0.0 112.763 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.414 HD12 ' OG ' ' A' ' 36' ' ' SER . 56.4 mt -65.05 -43.3 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.617 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' O ' HD13 ' A' ' 44' ' ' LEU . 32.4 t70 -59.12 -57.09 14.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.429 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -63.65 -29.08 70.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -63.16 -41.13 99.21 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.87 -44.18 90.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.075 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 40' ' ' ASP . 9.8 mp . . . . . 0 C--O 1.235 0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 63' ' ' MET . 5.9 tt . . . . . 0 C--O 1.234 0.284 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.582 ' N ' HD23 ' A' ' 62' ' ' LEU . 21.3 ptp -146.62 162.41 38.48 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.12 139.04 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 111.323 175.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -96.84 108.38 21.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.291 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 122' ' ' LEU . 17.9 t -96.28 106.68 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.783 -177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.732 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 22.8 m -78.06 101.65 7.06 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.602 HG11 HG21 ' A' ' 80' ' ' ILE . 18.7 t -102.34 -51.4 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.274 0.559 . . . . 0.0 111.334 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.4 t -76.26 -64.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.358 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.81 6.37 67.07 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -170.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 38.0 t30 -126.38 129.51 24.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.469 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 98.9 Cg_exo -46.73 -20.36 1.04 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.344 2.696 . . . . 0.0 114.292 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.409 HG23 ' HD3' ' A' ' 75' ' ' LYS . 30.5 m -57.21 100.48 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' A' ' 74' ' ' GLU . 13.3 mt-10 -50.76 -33.0 21.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.656 0.741 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.689 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 3.1 mptp? -63.75 -31.84 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.161 -168.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.22 -58.81 6.37 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.51 ' HA ' HG22 ' A' ' 80' ' ' ILE . 8.8 t -67.23 -35.82 80.36 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.468 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -55.5 -58.32 8.27 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.09 0.471 . . . . 0.0 110.638 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 42.1 mm-40 -65.15 -46.32 81.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.35 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.602 HG21 HG11 ' A' ' 68' ' ' VAL . 10.3 tp -65.66 -39.34 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.05 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -70.02 -31.76 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.27 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 t -64.73 -41.36 96.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 97.7 mt -61.04 -47.19 87.55 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.231 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.461 ' HE1' ' HG3' ' A' ' 125' ' ' GLN . 35.4 m0 -64.87 -38.56 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.751 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -56.97 -53.33 59.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.92 88.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.905 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -56.37 -46.6 79.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 111.22 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 96.5 mt -68.39 -34.37 75.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.66 -14.85 59.51 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.692 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -82.56 -42.27 18.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 172.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.15 53.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.442 176.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 67.39 76.52 0.28 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.525 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -134.22 105.38 6.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.785 173.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.24 91.06 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.087 0.47 . . . . 0.0 109.886 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.61 139.22 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.083 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -101.74 106.86 17.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.699 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -112.75 141.34 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.815 -175.371 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -135.9 149.67 49.06 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.03 0.443 . . . . 0.0 110.592 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.13 99.84 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.866 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 100' ' ' VAL . 15.1 m -125.38 101.69 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.311 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.82 104.33 2.05 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -170.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m -54.48 -14.77 1.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.539 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 9.0 p-10 -84.12 -25.07 29.98 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 120.892 0.377 . . . . 0.0 111.403 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -133.28 178.33 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.216 0.532 . . . . 0.0 111.789 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.28 139.24 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.15 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.4 tt -103.18 127.27 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.153 -177.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -109.25 115.94 30.96 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.756 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 81.9 mtp -102.33 120.65 40.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.396 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 118' ' ' ILE . 6.0 mp -100.28 163.33 12.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.474 ' HA ' HH11 ' A' ' 110' ' ' ARG . 9.4 mmm180 -97.63 -23.42 15.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.086 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.555 ' HB3' ' HE1' ' A' ' 114' ' ' TYR . 13.2 t70 -137.39 151.23 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.7 -8.86 59.15 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.858 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.4 t -72.9 -55.16 7.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 117.437 0.619 . . . . 0.0 110.356 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.555 ' HE1' ' HB3' ' A' ' 111' ' ' ASP . 33.1 p90 -73.8 0.2 13.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.701 0.286 . . . . 0.0 110.792 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . . . -59.42 -38.04 79.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 177.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -39.16 65.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.1 -51.57 69.17 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.444 0.465 . . . . 0.0 110.719 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.664 HG21 HD21 ' A' ' 109' ' ' LEU . 11.3 tt -65.27 -38.0 81.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -44.87 73.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 176.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.542 ' HA ' HG22 ' A' ' 123' ' ' VAL . 56.1 m-20 -67.55 -45.31 76.01 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.175 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.66 -41.77 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.456 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 66' ' ' VAL . 96.3 mt -67.34 -44.51 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.024 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.671 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 27.7 m -78.35 -12.39 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.45 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.2 m -85.11 -13.63 49.64 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.582 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.521 HE22 ' HB3' ' A' ' 127' ' ' ARG . 0.4 OUTLIER -76.05 126.62 31.34 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 175.705 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.52 -36.42 44.7 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -169.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.521 ' HB3' HE22 ' A' ' 125' ' ' GLN . 66.3 ttt180 -91.03 24.24 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.961 0.41 . . . . 0.0 111.445 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.671 ' SG ' ' HA ' ' A' ' 123' ' ' VAL . 42.5 t -74.43 94.56 2.59 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.022 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.49 5.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.22 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.732 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 4.9 tm-20 -151.94 144.88 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.453 HG23 HG22 ' A' ' 66' ' ' VAL . 4.4 p -144.89 104.82 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.26 0.552 . . . . 0.0 110.82 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 79.5 m -88.65 115.91 26.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.668 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 CA--C 1.534 0.344 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.832 -172.454 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.2 t80 . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.629 0.252 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -58.57 -62.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.199 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -57.79 -55.74 31.02 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -54.2 45.62 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.131 -173.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.84 -46.63 68.02 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 29.0 mmt -63.32 -40.76 98.21 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.332 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 110.178 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -54.38 -42.4 70.31 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.83 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -84.39 -52.71 5.97 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.533 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.83 -31.11 70.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.73 -34.04 69.07 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.423 . . . . 0.0 110.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -62.89 -45.6 91.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.831 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -64.57 -41.88 95.99 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.28 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.47 -61.26 2.53 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.725 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -60.1 -49.2 78.59 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.65 -176.554 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -57.58 -41.24 80.73 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.217 0.532 . . . . 0.0 110.416 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.61 -53.27 60.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.203 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -77.77 -20.96 52.47 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.423 -175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 20' ' ' LYS . 53.3 mt -65.91 -45.41 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 174.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.77 -40.94 63.09 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.358 0.599 . . . . 0.0 109.706 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 CA--C 1.537 0.467 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.98 179.61 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.033 0.444 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -83.71 111.15 30.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -46.91 -38.85 24.07 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.337 2.691 . . . . 0.0 113.551 -173.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -87.01 112.12 21.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.4 -47.97 0.53 Allowed Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.695 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -81.1 40.17 0.96 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.204 1.936 . . . . 0.0 112.767 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.7 pt -56.17 -29.65 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.17 -41.64 84.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.395 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.34 -25.83 67.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.42 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -78.05 -39.7 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.56 97.82 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.99 -179.46 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.703 HD23 HD12 ' A' ' 109' ' ' LEU . 57.2 tp . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.8 mtm -127.82 138.28 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.447 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 63.5 mtt -128.21 120.33 27.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.246 178.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.84 101.62 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 122' ' ' LEU . 17.1 t -95.63 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.628 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.7 m -72.85 103.42 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.55 HG11 HG21 ' A' ' 80' ' ' ILE . 26.2 t -100.05 -43.65 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.542 . . . . 0.0 110.463 -174.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 37.7 t -91.39 -63.91 1.19 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.274 -175.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.503 ' H ' ' HB2' ' A' ' 103' ' ' ASP . . . 87.43 -11.01 67.08 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.433 -171.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.502 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 3.7 p-10 -126.17 151.44 71.97 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.32 -15.23 47.43 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.071 3.181 . . . . 0.0 116.734 -166.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.502 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -68.55 162.13 26.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.505 1.048 . . . . 0.0 112.278 -163.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -87.15 -17.95 31.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.555 -175.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.42 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 59.2 mttt -56.14 -73.12 0.06 Allowed 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.856 0.836 . . . . 0.0 110.989 -173.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 1.3 pm0 -55.61 -45.21 77.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.995 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -63.85 -42.74 97.49 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.015 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.52 -49.15 74.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.113 0.482 . . . . 0.0 109.784 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -50.52 73.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.675 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.55 HG21 HG11 ' A' ' 68' ' ' VAL . 11.3 tp -72.07 -40.61 67.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.358 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 m -64.15 -40.15 95.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.0 p -68.12 -39.03 82.86 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.44 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.29 -58.48 7.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.744 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -64.52 -34.77 79.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.8 -35.73 71.23 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.102 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.53 -61.29 2.99 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.112 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -57.34 -50.05 74.2 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.64 -38.79 84.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.794 0.33 . . . . 0.0 111.492 -173.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.09 -32.46 39.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.597 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -75.44 -22.09 57.63 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 109.999 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.06 2.99 40.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.461 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 66.92 44.41 2.03 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.755 173.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -90.46 164.14 14.38 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.69 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 4.5 p30 -92.99 15.97 13.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.701 HG12 HD22 ' A' ' 109' ' ' LEU . 18.0 m -87.18 132.85 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -173.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -113.6 142.34 46.09 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.549 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -117.66 143.53 46.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.487 -177.211 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -142.54 150.3 40.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.185 173.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -111.11 114.24 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.262 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 100' ' ' VAL . 7.5 p -146.07 106.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 176.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.65 87.02 0.61 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 -162.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.0 p -48.06 -32.28 6.51 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.704 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.9 p-10 -67.91 -21.5 65.13 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 120.789 0.328 . . . . 0.0 111.425 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -129.1 122.36 29.76 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 110.742 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 127.5 38.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -97.91 131.67 44.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.441 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -117.25 125.96 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.127 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 56.3 mtm -107.79 112.51 25.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 62' ' ' LEU . 18.0 mt -91.53 131.83 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.419 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 37.3 mtp180 -83.17 -25.54 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 0.0 109.762 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -131.58 165.74 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.272 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.05 -3.2 39.12 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.208 -175.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -61.61 -34.77 76.21 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.959 0.379 . . . . 0.0 111.784 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -103.59 11.81 35.73 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.601 0.239 . . . . 0.0 110.605 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.5 -65.29 0.62 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.945 0.402 . . . . 0.0 112.036 -175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -33.46 75.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.09 -50.13 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.326 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.592 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 11.2 tt -67.95 -36.96 77.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.722 ' HG2' HG11 ' A' ' 131' ' ' VAL . 1.2 tmmt? -52.49 -54.73 28.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.087 0.47 . . . . 0.0 110.336 177.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.568 ' HA ' HG22 ' A' ' 123' ' ' VAL . 18.9 m-20 -66.38 -35.33 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.676 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.96 -40.4 84.59 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 110.47 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.633 HD13 HG21 ' A' ' 66' ' ' VAL . 88.0 mt -68.72 -46.94 67.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.781 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 120' ' ' ASP . 19.0 m -70.74 -24.92 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.6 t -80.64 -3.65 51.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.464 ' HG2' HD11 ' A' ' 80' ' ' ILE . 6.2 tp-100 -60.39 151.75 27.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.557 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.03 -43.28 63.65 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 122.754 0.422 . . . . 0.0 111.59 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 53.1 tpt85 -67.97 -18.7 64.82 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.318 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m 61.52 79.75 0.24 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 110.345 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.92 129.88 37.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.552 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -92.66 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.154 0.502 . . . . 0.0 110.134 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.722 HG11 ' HG2' ' A' ' 119' ' ' LYS . 7.7 p -95.45 139.32 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.365 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.3 m -125.32 130.48 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.195 173.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.447 ' HG ' ' HG2' ' A' ' 64' ' ' MET . 7.2 mp . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.594 -176.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 26.5 t80 . . . . . 0 C--O 1.23 0.075 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.02 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.337 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.15 -59.53 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.645 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -66.07 -56.03 13.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 16.0 t70 -69.12 -39.88 78.65 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.926 -172.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.425 ' O ' HD13 ' A' ' 15' ' ' LEU . 26.2 mmt -69.17 -36.68 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.231 178.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -57.99 -47.36 83.24 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 175.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 21.0 mtm180 -64.94 -39.04 92.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.995 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.07 -52.11 64.02 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.027 0.441 . . . . 0.0 109.867 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 10.4 mp -67.97 -28.77 67.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 11.0 tm-20 -54.38 -35.78 63.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 89.6 mt-30 -57.59 -48.09 80.33 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.407 178.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.627 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 74.1 m95 -66.46 -39.35 88.77 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 13.6 mm-40 -58.95 -51.94 67.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.511 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 17' ' ' GLN . 21.1 ptmt -66.72 -40.35 88.37 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.142 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -58.69 -40.52 83.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.096 0.474 . . . . 0.0 109.932 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 30.5 t70 -65.68 -39.84 91.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 178.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.0 -40.82 96.98 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.738 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 20' ' ' LYS . 78.2 mt -73.01 -57.86 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.636 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -95.04 -20.36 19.4 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -171.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 44.7 mt-10 . . . . . 0 N--CA 1.469 0.493 0 C-N-CA 122.984 0.514 . . . . 0.0 111.843 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt . . . . . 0 C--O 1.233 0.232 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -50.23 116.13 6.22 Favored Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.917 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.93 -14.58 23.85 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.496 2.131 . . . . 0.0 111.235 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.8 t -129.18 126.88 40.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.517 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -74.98 -47.59 4.71 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.234 -177.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 54.5 Cg_endo -68.19 88.81 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 121.826 1.684 . . . . 0.0 111.986 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 pt -63.03 -18.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.745 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.99 -60.06 3.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.585 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.438 ' HD1' ' HB2' ' A' ' 38' ' ' PRO . 92.3 m-85 -62.41 -35.6 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.814 -177.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.5 t -66.63 -32.07 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.54 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -79.17 -47.69 15.58 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp . . . . . 0 N--CA 1.467 0.42 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.361 -178.292 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.7 ptp -128.03 150.1 50.08 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 174.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG2' HD23 ' A' ' 133' ' ' LEU . 57.5 mtt -125.6 146.39 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.659 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 132' ' ' THR . 97.5 m-85 -109.11 110.2 21.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG21 HD13 ' A' ' 122' ' ' LEU . 32.9 t -99.55 101.81 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.364 -177.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 130' ' ' GLU . 7.5 t -84.55 109.73 18.17 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.5 0.667 . . . . 0.0 110.004 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.756 HG11 HG21 ' A' ' 80' ' ' ILE . 38.4 t -103.29 -60.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.534 -172.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -78.83 -58.41 3.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.381 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.88 0.14 84.27 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -173.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 5.1 p-10 -126.13 145.76 53.46 Favored Pre-proline 0 C--O 1.234 0.287 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 71' ' ' ASN . 34.6 Cg_exo -59.54 -19.88 54.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.361 2.707 . . . . 0.0 114.337 -170.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.492 HG21 ' NZ ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -60.39 108.14 0.77 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.039 0.447 . . . . 0.0 110.335 -178.073 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -63.09 -37.23 86.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.579 -169.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.492 ' NZ ' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER -58.98 -25.3 63.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -167.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.65 -71.09 0.16 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.611 ' HA ' HG22 ' A' ' 80' ' ' ILE . 87.0 m -65.42 -30.59 71.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 -176.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -59.44 -55.58 32.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.104 0.478 . . . . 0.0 110.508 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.94 -44.66 84.43 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.583 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.756 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -63.26 -36.87 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.543 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.5 m -67.18 -36.56 82.03 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.207 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 66.3 m -59.19 -44.22 92.2 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.142 0.496 . . . . 0.0 110.288 175.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 80' ' ' ILE . 88.2 mt -62.96 -49.48 74.56 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.388 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.511 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 m0 -59.01 -55.36 36.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.382 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 82' ' ' SER . 1.2 pp0? -55.54 -40.72 72.23 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.28 97.1 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.692 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.3 t -76.82 -17.15 59.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.255 0.222 . . . . 0.0 111.308 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 97.8 mt -90.95 -41.26 11.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 111.128 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 35.7 m-85 -75.79 -17.54 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -74.97 -20.75 59.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.09 8.39 44.62 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.488 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.1 t30 51.61 77.4 0.14 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.341 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -109.41 132.99 53.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 172.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 110' ' ' ARG . 23.4 p-10 -89.41 41.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.557 0.694 . . . . 0.0 110.581 -175.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.447 HG12 ' HG ' ' A' ' 109' ' ' LEU . 27.3 m -87.69 133.47 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.718 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' HA ' ' OE1' ' A' ' 96' ' ' GLN . 14.0 mm-40 -100.51 110.23 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.265 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.591 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -113.29 128.07 56.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.12 -170.595 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -140.55 159.37 42.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.406 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' A' ' 102' ' ' SER . 10.0 tt -114.48 110.07 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.217 0.532 . . . . 0.0 110.57 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 100' ' ' VAL . 15.4 m -119.6 105.33 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.287 177.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.45 101.52 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -171.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.458 ' HA ' HD11 ' A' ' 99' ' ' ILE . 47.9 t -41.79 -30.65 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.4 -35.31 62.73 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.96 0.41 . . . . 0.0 111.575 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.492 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -144.5 149.99 36.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.193 0.52 . . . . 0.0 111.656 -173.861 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.36 136.78 49.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.381 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tt -93.94 113.81 29.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.674 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.42 102.78 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.678 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.3 mtm -87.67 133.96 33.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.555 HD21 HG21 ' A' ' 118' ' ' ILE . 6.5 mp -111.32 120.01 40.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.455 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 55.5 ttp180 -73.93 -38.32 64.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -112.47 111.55 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.153 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.9 22.75 34.44 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 121.168 -0.539 . . . . 0.0 113.02 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.1 t -70.74 -45.93 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.001 0.401 . . . . 0.0 110.153 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -89.35 21.81 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.2 -45.96 72.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.749 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -67.97 -33.06 73.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -71.43 -47.86 53.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.555 HG21 HD21 ' A' ' 109' ' ' LEU . 11.9 tt -65.1 -39.35 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.446 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.42 -52.95 63.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.73 -38.49 69.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.456 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.79 -50.76 72.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.836 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.529 HD13 HG21 ' A' ' 66' ' ' VAL . 86.4 mt -63.31 -37.19 86.28 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 66.3 t -74.37 -31.12 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.44 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -73.36 -0.36 14.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.294 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.435 ' HG3' ' H ' ' A' ' 127' ' ' ARG . 6.1 tp-100 -57.05 150.64 16.68 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -58.78 -33.51 70.41 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 110.718 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.435 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 23.4 ttm180 -84.52 -12.68 53.74 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.0 m 57.0 87.79 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.51 148.96 26.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.836 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.446 ' HB2' HG23 ' A' ' 67' ' ' THR . 40.4 mt-10 -94.76 113.86 25.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.639 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 39.3 t -105.68 117.97 52.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.606 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 65' ' ' PHE . 11.8 t -112.89 147.99 35.88 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.485 HD23 ' HG2' ' A' ' 64' ' ' MET . 89.2 mt . . . . . 0 C--O 1.235 0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.971 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' MET . 83.8 m-20 -55.37 -64.17 0.93 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.477 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.14 -57.3 12.31 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.727 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.43 -66.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 111.766 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -69.01 -43.72 74.22 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.06 -171.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 15' ' ' LEU . 43.0 ttm -74.03 -37.42 64.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -174.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.39 80.39 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.735 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -38.36 85.64 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.2 tp -67.2 -44.7 78.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.082 0.467 . . . . 0.0 110.404 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.511 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 9.7 mp -78.81 -7.54 57.94 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.168 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -48.47 -42.2 31.95 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.922 0.489 . . . . 0.0 110.941 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -63.11 -45.15 93.36 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.852 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.511 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 92.8 m95 -66.29 -40.04 89.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 -177.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.07 71.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' HG13 ' A' ' 24' ' ' ILE . 23.8 tptp -69.36 -39.8 77.89 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 11.8 m-20 -62.55 -37.84 87.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.62 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 14.8 t70 -58.72 -46.06 88.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.491 176.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.87 -43.9 77.58 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.6 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 20' ' ' LYS . 73.8 mt -62.32 -37.97 80.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.403 178.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 45.0 mt-10 -72.61 -30.08 64.05 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.422 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 46.0 mt-10 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.667 0.27 . . . . 0.0 110.551 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -53.24 122.25 29.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.99 0.57 4.88 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.864 2.376 . . . . 0.0 113.04 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -68.9 107.35 3.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.57 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -85.1 -47.98 0.62 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.879 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 23.6 Cg_endo -60.35 124.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 121.75 1.634 . . . . 0.0 111.775 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.2 tt -78.7 1.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.878 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 5.7 m-20 -45.4 -33.98 2.85 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.051 0.541 . . . . 0.0 112.049 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -54.43 -54.39 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 110.679 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -83.5 -27.45 29.4 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.351 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.525 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 23.3 tptm -62.8 -51.77 65.78 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.267 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.648 179.504 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.466 ' HG ' HD23 ' A' ' 109' ' ' LEU . 42.4 tp . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.211 0.529 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.7 ptp -134.83 137.51 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.911 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.4 ' HB2' HG12 ' A' ' 131' ' ' VAL . 10.7 ptm -139.95 128.45 22.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.682 -173.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.37 115.38 23.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.48 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 HD13 ' A' ' 122' ' ' LEU . 26.3 t -96.7 106.59 18.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.3 t -89.47 110.65 21.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.237 0.542 . . . . 0.0 109.893 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.718 HG11 HG21 ' A' ' 80' ' ' ILE . 48.4 t -101.82 -56.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.738 -176.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.734 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 19.8 m -61.53 -50.58 72.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.565 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.25 -4.1 5.13 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.668 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 65.7 t30 -127.97 142.25 43.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 124.407 1.083 . . . . 0.0 108.393 -173.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.668 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 24.7 Cg_exo -39.06 -17.09 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 124.128 3.219 . . . . 0.0 115.83 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 71' ' ' ASN . 2.2 t -63.72 128.57 36.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.385 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -79.53 -24.36 42.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.726 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 2.6 mptp? -58.62 -48.19 81.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.3 -165.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.556 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.8 mm-40 -58.49 -62.82 1.57 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.158 0.504 . . . . 0.0 110.68 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 m -59.84 -37.6 79.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.832 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.79 -52.83 54.75 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.575 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 8.7 mm-40 -59.87 -48.0 83.47 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.718 HG21 HG11 ' A' ' 68' ' ' VAL . 11.4 tp -66.34 -38.28 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.841 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.7 m -64.93 -34.04 77.46 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.69 0.281 . . . . 0.0 110.293 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.6 t -64.46 -45.03 89.17 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.394 0.616 . . . . 0.0 109.626 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.599 HD12 HD12 ' A' ' 80' ' ' ILE . 78.7 mt -57.21 -38.72 74.13 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.947 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.722 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 28.7 m0 -74.54 -31.51 62.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.437 ' OE1' ' HD2' ' A' ' 97' ' ' ARG . 7.9 tp60 -58.03 -35.57 71.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.93 -50.92 4.7 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.452 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.412 ' HA ' ' OD1' ' A' ' 90' ' ' ASN . 61.5 m -61.38 -58.28 8.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.09 -35.19 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.739 0.304 . . . . 0.0 111.438 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HZ ' HH11 ' A' ' 97' ' ' ARG . 12.5 m-85 -78.12 -34.44 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.412 ' OD1' ' HA ' ' A' ' 87' ' ' SER . 0.9 OUTLIER -70.19 -23.4 62.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.495 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.01 4.22 23.66 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.384 173.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 75.03 18.46 2.52 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.667 0.787 . . . . 0.0 112.313 173.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -95.72 92.8 6.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.14 79.31 2.29 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.323 0.582 . . . . 0.0 109.631 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -94.14 143.59 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.983 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 90.1 mm-40 -100.44 100.58 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.287 0.565 . . . . 0.0 109.825 -177.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.602 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -107.69 131.2 54.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.7 -174.488 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.403 ' O ' HG22 ' A' ' 106' ' ' ILE . 49.6 m-85 -128.4 125.92 39.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 99' ' ' ILE . 11.6 tt -80.37 89.59 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.73 0.776 . . . . 0.0 110.361 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.24 117.01 52.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.968 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.97 102.85 0.73 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -167.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -45.65 -29.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -170.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.734 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 5.2 p-10 -85.07 -11.25 55.72 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -145.31 154.9 42.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.303 0.573 . . . . 0.0 112.124 -172.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.09 128.69 48.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.217 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 9.2 tt -85.18 121.35 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.997 0.427 . . . . 0.0 110.543 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.336 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.507 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 44.7 ttm -99.48 123.9 44.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.225 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.466 HD23 ' HG ' ' A' ' 62' ' ' LEU . 2.7 mm? -102.24 151.59 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.584 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -73.12 -43.4 61.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -145.18 175.97 9.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.98 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.98 16.32 15.78 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.714 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 m -63.88 -34.33 77.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.378 0.589 . . . . 0.0 110.805 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -108.86 18.0 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.42 80.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.377 -175.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -29.77 63.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.992 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.28 -53.46 43.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.219 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.603 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.4 tt -64.86 -38.67 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.24 -49.39 76.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.817 0.341 . . . . 0.0 110.251 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.494 ' HA ' HG22 ' A' ' 123' ' ' VAL . 15.4 t70 -60.89 -42.27 97.65 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.96 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -56.45 -42.25 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 78.4 mt -72.13 -43.43 64.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.512 -177.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 120' ' ' ASP . 18.6 m -75.39 -26.74 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 -177.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.7 m -81.95 -0.8 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.377 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.722 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 27.2 mm-40 -63.68 162.08 13.83 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.77 177.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.32 -34.69 48.14 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.837 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -87.36 -12.85 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.944 -177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 123' ' ' VAL . 55.8 m 54.28 76.83 0.22 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.139 0.495 . . . . 0.0 110.469 -175.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.18 128.68 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.74 148.21 26.48 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 64' ' ' MET . 20.5 t -126.57 121.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -176.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.4 p -98.71 113.02 24.92 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.086 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 133' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.878 0 N-CA-C 112.289 -0.324 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -96.94 -21.85 17.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.95 0.405 . . . . 0.0 110.353 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tt -139.86 120.95 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.136 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.8 mmt-85 -67.58 -53.29 29.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -49.38 -52.5 27.99 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.889 0.743 . . . . 0.0 112.227 -169.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -66.06 -47.02 75.69 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.226 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 11' ' ' MET . 97.7 m-20 -57.27 -65.75 0.57 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.571 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -50.24 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.076 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -67.57 0.39 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.65 -44.55 81.58 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.405 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.477 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.8 ttm -69.5 -34.93 75.01 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.796 -175.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.17 86.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.172 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -60.4 -33.05 71.93 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.436 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.91 -43.21 55.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.504 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 94.0 mt -85.95 -0.83 56.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -177.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -47.78 -46.05 29.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.954 0.502 . . . . 0.0 110.878 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.68 -42.46 97.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.484 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 85.3 m95 -67.78 -42.26 81.93 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.134 0.493 . . . . 0.0 109.874 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.37 -36.97 85.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.275 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.13 -47.21 87.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.787 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.67 -51.43 68.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.411 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -59.42 -34.54 72.6 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.77 -43.56 54.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.796 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.9 pp -78.14 -21.87 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.65 -45.69 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.571 . . . . 0.0 109.628 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 60.78 12.2 3.63 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.31 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.89 23.19 78.21 Favored Glycine 0 C--N 1.331 0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 113.329 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -85.84 118.8 25.55 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 117.12 0.46 . . . . 0.0 110.316 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.472 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 2.8 mm? -80.59 121.19 81.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.601 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 11.4 Cg_endo -89.91 148.63 4.82 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.094 2.529 . . . . 0.0 111.384 175.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -78.32 -3.99 45.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 0.0 110.76 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -85.78 105.65 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.316 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.4 tttp -89.84 169.01 11.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.152 174.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.521 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 8.4 tpp180 -53.65 113.57 5.06 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 59.5 Cg_endo -70.59 -20.4 30.97 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.408 2.072 . . . . 0.0 112.363 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 m -81.15 108.54 14.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.416 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -80.31 -48.29 1.27 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.694 175.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 3.9 Cg_exo -78.58 100.63 1.38 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.151 1.901 . . . . 0.0 111.339 174.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.95 -19.81 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.604 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 13.0 m-20 -51.04 -26.99 6.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.262 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -57.69 -54.05 51.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.72 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -81.65 -24.53 36.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.214 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.603 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 36.2 ttmt -64.85 -55.23 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.291 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.43 -49.14 7.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.014 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.0 t70 58.33 91.06 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.725 -169.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.11 -37.83 4.86 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.026 3.151 . . . . 0.0 114.329 -172.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.42 -31.75 4.72 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.482 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -61.7 113.54 8.6 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.597 ' O ' HG12 ' A' ' 52' ' ' ILE . 98.8 Cg_endo -78.44 70.0 7.43 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.434 2.089 . . . . 0.0 111.819 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.21 -25.72 15.01 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.053 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 m -49.76 -35.2 21.54 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.567 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 49' ' ' PRO . 25.2 pt -67.26 -38.36 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' HA ' HG22 ' A' ' 56' ' ' THR . 62.0 tp -68.52 -35.73 77.88 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.191 0.52 . . . . 0.0 109.615 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HB3' ' NZ ' ' A' ' 54' ' ' LYS . 3.3 mmmp? -74.28 -26.24 60.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.726 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -89.81 -22.54 22.05 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.69 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 53' ' ' LEU . 14.5 t -85.15 146.36 27.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.279 0.561 . . . . 0.0 111.507 -177.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -150.2 154.65 38.35 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.926 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -59.13 146.5 38.55 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.78 48.02 0.34 Allowed Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 121.264 -0.493 . . . . 0.0 111.888 -176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -79.68 99.23 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.131 0.491 . . . . 0.0 109.743 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 t -98.97 24.39 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.745 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -79.56 113.13 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 108' ' ' MET . 1.7 pmm? -114.47 160.51 19.11 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.249 0.547 . . . . 0.0 110.972 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.5 mtt -108.16 122.09 46.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.919 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' HE2' ' HA ' ' A' ' 134' ' ' GLU . 91.9 m-85 -80.98 101.05 9.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 130' ' ' GLU . 34.5 t -100.44 99.21 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.659 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 27.8 m -78.2 95.14 4.89 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.913 HG11 HG21 ' A' ' 80' ' ' ILE . 25.6 t -85.82 -60.8 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.729 -171.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.0 m -77.91 -70.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.17 -171.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.16 9.42 80.12 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -171.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -126.65 133.25 24.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 123.529 0.731 . . . . 0.0 109.43 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -42.01 -34.56 2.7 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.964 3.109 . . . . 0.0 115.301 -172.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.671 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 72.9 p -65.24 102.11 0.62 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.79 0.329 . . . . 0.0 111.482 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.64 -24.12 63.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.083 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.671 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.9 ptmm? -47.88 -48.41 31.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.445 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 75.9 mm-40 -56.85 -48.84 77.15 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.109 0.48 . . . . 0.0 110.622 -175.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.7 m -63.93 -43.71 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.821 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.42 -46.94 86.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.76 0.314 . . . . 0.0 110.362 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt-10 -56.9 -57.51 12.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.35 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.913 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -64.21 -37.52 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.218 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -69.13 -35.53 76.49 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.504 0.193 . . . . 0.0 111.045 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.7 p -73.27 -31.63 64.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 94.0 mt -63.78 -45.21 90.77 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -61.16 -45.42 94.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.245 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.64 -34.4 64.9 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.12 -65.4 2.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.78 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.7 m -52.43 -46.94 66.61 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.92 -54.04 50.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.963 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.45 -30.49 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.728 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -71.27 -27.15 63.24 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.27 13.8 16.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.872 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.8 m120 69.31 17.56 8.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.806 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -95.54 89.44 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.421 ' HB3' ' NH2' ' A' ' 110' ' ' ARG . 28.7 t70 -84.04 103.02 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.07 168.92 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.124 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 15.9 mm100 -100.56 133.79 44.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.477 ' NH1' ' HA ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -141.15 124.28 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -175.43 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -135.22 149.06 49.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.018 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 tt -108.03 90.4 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.48 0.657 . . . . 0.0 110.543 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 100' ' ' VAL . 16.7 m -116.57 108.82 26.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 105.07 2.71 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -167.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.6 m -40.47 -30.24 0.11 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -100.93 -22.66 14.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.767 0.318 . . . . 0.0 111.709 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.2 mmm-85 -97.38 112.4 24.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -170.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.14 116.07 31.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 106' ' ' ILE . 45.2 pt -96.4 121.16 46.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 111.31 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -102.82 102.3 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.339 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.487 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.4 ttm -87.58 120.37 28.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.829 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.3 mt -98.19 128.42 44.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.198 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 94' ' ' ASP . 37.5 ptt180 -86.84 -7.28 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 171.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -115.23 -169.61 1.6 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.292 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.17 -35.12 0.02 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.366 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.4 m -51.85 -45.21 63.94 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 117' ' ' GLU . 55.2 p90 -99.99 26.66 6.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.42 68.29 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 111.496 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -74.32 -21.8 59.54 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -70.21 -52.0 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 tt -65.68 -38.82 83.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.407 ' HZ2' HG12 ' A' ' 131' ' ' VAL . 24.5 ttmm -57.26 -41.73 80.21 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.159 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.3 -49.53 77.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.721 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.84 -37.03 63.19 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.085 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 86.0 mt -69.75 -54.35 14.12 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.918 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.1 m -75.98 -5.88 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.653 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.6 t -63.33 -13.01 34.34 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.657 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -79.74 153.88 28.94 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.709 0.29 . . . . 0.0 111.062 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -42.66 64.13 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.993 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 128' ' ' CYS . 19.1 mtp180 -67.07 -25.09 66.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -177.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 127' ' ' ARG . 42.7 t 71.0 -60.68 0.5 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 111.198 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.6 161.82 0.24 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.099 0.56 . . . . 0.0 111.611 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 16.0 tt0 -85.66 113.62 22.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.943 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.544 HG22 HG13 ' A' ' 66' ' ' VAL . 49.1 t -117.18 97.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 65' ' ' PHE . 25.0 p -107.61 160.15 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 137' ' ' MET . 77.6 mt -101.62 146.7 27.35 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.42 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 1.5 tm-20 -58.55 117.89 5.02 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.59 -101.12 2.76 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.243 -0.504 . . . . 0.0 111.989 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -123.56 155.2 38.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.753 0.311 . . . . 0.0 110.593 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 133' ' ' LEU . 27.5 ttt -100.49 99.74 10.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.222 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 8.9 p90 -123.4 117.12 28.02 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.475 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 138' ' ' TYR . 13.6 Cg_exo -70.66 -27.96 21.55 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.736 2.291 . . . . 0.0 111.693 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 150.77 -55.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 20.7 pttp . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.571 -0.728 . . . . 0.0 109.89 177.35 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.874 0 CA-C-O 120.214 -0.214 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -125.29 -95.05 0.47 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 117.078 0.439 . . . . 0.0 111.835 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mm -77.49 -75.55 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -168.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -60.67 -32.83 72.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.797 -176.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.3 m-20 -58.88 -49.72 76.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.104 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.457 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 10.5 t80 -54.94 -48.89 72.56 Favored 'General case' 0 C--N 1.335 -0.048 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.24 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -55.68 -70.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.624 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -62.05 -57.16 12.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.247 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 5' ' ' ASP . . . -63.64 -47.43 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 34.3 t70 -76.66 -47.82 20.93 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.758 -174.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.9 mmt -60.86 -32.64 72.06 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.91 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -63.71 -58.78 5.83 Favored 'General case' 0 C--O 1.226 -0.173 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 172.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -53.11 -27.54 21.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.78 -37.09 16.89 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.608 0.242 . . . . 0.0 111.136 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 18' ' ' TRP . 8.1 mp -110.52 25.95 11.21 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.954 0.354 . . . . 0.0 111.954 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ALA . 53.4 mt-10 -49.59 -22.83 1.4 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -52.38 -59.14 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.097 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.468 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 34.8 p-90 -68.83 -36.42 78.17 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.365 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.25 -62.37 1.89 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.303 0.573 . . . . 0.0 110.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' O ' HG13 ' A' ' 24' ' ' ILE . 38.4 ttmt -58.9 -47.65 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.302 -178.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.42 -39.04 82.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.24 -47.94 80.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.122 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.77 -37.49 84.5 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 20' ' ' LYS . 77.3 mt -64.92 -32.69 59.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -82.68 -26.18 32.31 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.987 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 34.6 tt0 -68.59 167.48 14.96 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.987 0.423 . . . . 0.0 111.104 -177.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 92.12 54.75 1.82 Allowed Glycine 0 C--N 1.333 0.379 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.616 178.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -148.13 168.0 23.57 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 29' ' ' LEU . 3.7 pp -118.3 145.93 38.29 Favored Pre-proline 0 C--O 1.236 0.364 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.603 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -82.99 -159.43 0.1 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.955 2.437 . . . . 0.0 112.443 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.28 1.02 52.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.281 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -104.9 119.12 38.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.236 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -84.56 -178.31 6.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.358 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -49.34 106.09 0.59 Allowed Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -87.61 0.36 7.22 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.918 2.412 . . . . 0.0 113.17 -173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -70.9 109.01 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.507 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.582 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.66 -49.29 51.05 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 176.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 5.1 Cg_exo -74.84 107.06 2.39 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.1 1.867 . . . . 0.0 111.103 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.4 pt -70.41 -6.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.629 ' HA ' HD13 ' A' ' 44' ' ' LEU . 5.4 m-20 -48.96 -44.88 41.19 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.402 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -61.81 -51.08 69.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 m -76.86 -22.72 53.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.357 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -95.23 -43.31 8.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -177.459 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 40' ' ' ASP . 6.9 mp -92.0 -35.06 14.18 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 56.81 90.38 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.546 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.24 -66.44 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.72 2.28 . . . . 0.0 112.982 -175.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.9 11.99 55.99 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.722 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -67.38 144.03 97.7 Favored Pre-proline 0 C--O 1.236 0.354 0 C-N-CA 122.795 0.438 . . . . 0.0 111.334 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.6 106.14 2.15 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.435 2.09 . . . . 0.0 110.818 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -80.97 19.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.295 0.569 . . . . 0.0 111.115 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.2 t -56.15 -31.34 63.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.39 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.418 HD13 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.25 -33.91 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.298 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.8 tp -70.56 -33.68 71.37 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.72 -42.96 99.65 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 72.4 mtm -73.24 -20.46 60.85 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.072 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -68.76 99.06 0.97 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 110.328 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -146.57 109.51 4.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.5 113.58 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.893 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.62 41.85 83.08 Favored Glycine 0 C--N 1.334 0.441 0 O-C-N 123.64 0.588 . . . . 0.0 113.582 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -149.45 110.79 4.43 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.2 m -122.82 -31.28 3.7 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.805 0.336 . . . . 0.0 111.833 -175.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 tt -104.54 122.65 46.02 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -174.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.4 mtm -126.37 129.2 48.33 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 120.955 0.407 . . . . 0.0 110.68 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.501 ' HG2' HD23 ' A' ' 133' ' ' LEU . 61.5 mtt -111.3 127.21 55.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.438 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.68 108.62 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.574 HG21 HD13 ' A' ' 122' ' ' LEU . 46.7 t -107.56 105.36 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.736 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 24.5 m -71.53 113.16 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 173.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.872 HG11 HG21 ' A' ' 80' ' ' ILE . 58.5 t -101.28 -60.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 111.096 -173.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -84.79 -46.1 11.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.032 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.21 -4.21 41.82 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.789 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.615 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.0 p30 -127.25 161.54 53.66 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.615 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 33.3 Cg_endo -61.91 -17.06 53.49 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.382 2.721 . . . . 0.0 115.36 -170.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.417 HG23 ' HD3' ' A' ' 75' ' ' LYS . 23.2 m -63.08 90.65 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.508 0.671 . . . . 0.0 111.268 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -54.1 -25.01 19.73 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.063 -179.632 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 11.8 mptt -58.43 -54.59 45.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.012 -171.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.2 -40.88 97.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.781 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.2 m -65.24 -42.44 93.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.843 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.06 -45.35 85.71 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.131 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -57.67 -53.8 54.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.009 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.872 HG21 HG11 ' A' ' 68' ' ' VAL . 10.9 tp -62.62 -36.63 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.666 -176.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -63.79 -38.87 92.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 110.369 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.3 m -62.79 -41.96 99.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.527 HD12 HD12 ' A' ' 80' ' ' ILE . 75.0 mt -61.98 -43.76 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 178.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -60.88 -60.09 4.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.4 -27.78 64.6 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.41 63.74 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.765 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.473 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 20.4 m -81.81 -19.2 41.66 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.79 -48.52 10.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.139 0.495 . . . . 0.0 110.462 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.51 -26.43 62.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 35.7 p30 -71.51 -21.08 61.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.263 0.554 . . . . 0.0 110.082 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.01 6.93 47.73 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.947 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 63.02 25.09 14.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.119 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -76.58 92.06 3.44 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.0 95.05 5.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.847 -174.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.468 ' HA ' ' HG3' ' A' ' 110' ' ' ARG . 27.4 m -133.74 162.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.708 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.481 ' HB3' ' HB2' ' A' ' 108' ' ' MET . 7.4 tp60 -108.03 153.15 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.502 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -145.21 143.58 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.542 -174.102 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -141.51 148.73 39.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.6 tt -109.86 90.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.559 0.695 . . . . 0.0 109.566 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.0 m -118.38 110.46 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.439 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.32 101.03 1.67 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -169.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.5 m -53.45 -21.58 6.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -171.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.81 -26.12 61.39 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.939 0.4 . . . . 0.0 111.535 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 104' ' ' ARG . 11.2 ptp180 -139.23 175.6 9.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.44 0.638 . . . . 0.0 112.233 -168.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.14 142.83 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.785 172.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -111.09 133.01 58.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -115.44 118.67 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.379 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.481 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.1 mtt -94.7 97.45 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.5 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 109' ' ' LEU . 6.8 mp -71.67 129.37 38.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.653 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 88.3 mtt-85 -82.85 -6.64 59.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.203 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -149.74 177.24 9.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.372 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.47 22.16 4.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.018 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.7 m -81.12 -55.68 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.155 -175.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -100.51 21.58 13.05 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.312 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.36 -41.95 66.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.921 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -69.73 -31.07 68.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 0.0 110.227 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.61 -46.18 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.097 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.3 tt -65.23 -35.23 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 177.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -59.55 -50.31 74.4 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 123' ' ' VAL . 36.3 t70 -60.02 -36.64 77.67 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.375 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -61.02 -43.08 99.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.574 HD13 HG21 ' A' ' 66' ' ' VAL . 93.9 mt -62.57 -51.17 68.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' A' ' 120' ' ' ASP . 17.0 m -74.35 -17.16 16.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.619 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.84 -31.12 70.56 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.021 0.438 . . . . 0.0 110.003 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -86.98 135.03 33.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.031 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.67 -18.63 65.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.242 -171.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -76.9 -4.33 43.28 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.4 t -77.96 100.96 6.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.68 14.13 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.736 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 33.8 tt0 -151.2 119.32 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 -175.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.503 HG23 HG22 ' A' ' 66' ' ' VAL . 7.3 p -111.19 125.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 0.0 110.264 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.8 p -140.8 157.27 45.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.898 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' A' ' 64' ' ' MET . 53.5 mt -93.54 172.04 8.52 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -64.55 87.48 0.05 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 166.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 99.92 -162.52 19.32 Favored Glycine 0 C--N 1.331 0.302 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -173.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -84.76 179.65 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.127 0.463 . . . . 0.0 110.349 177.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.551 ' SD ' ' HD2' ' A' ' 139' ' ' PRO . 14.5 tpt -59.89 91.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.451 ' N ' ' CD ' ' A' ' 139' ' ' PRO . 6.1 p90 -74.07 -32.84 1.57 Allowed Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.551 ' HD2' ' SD ' ' A' ' 137' ' ' MET . 6.2 Cg_exo -80.3 174.27 11.53 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.941 1.761 . . . . 0.0 111.517 174.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 134.9 -116.7 1.62 Allowed Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.07 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.527 ' HB3' ' NZ ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.089 -0.405 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.2 t70 67.93 -74.42 0.07 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.137 0.575 . . . . 0.0 111.337 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.9 pt -121.81 -17.07 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.95 0.405 . . . . 0.0 110.555 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -61.84 -31.02 71.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.435 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -51.7 -51.44 56.0 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 123.131 0.269 . . . . 0.0 111.099 -174.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 4.8 p90 -73.7 -37.28 65.22 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.628 ' O ' ' HB3' ' A' ' 11' ' ' MET . 28.6 m-80 -56.01 -73.17 0.06 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.17 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -65.26 -65.57 0.66 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.857 0.361 . . . . 0.0 111.897 -173.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 33.4 t70 -69.91 -37.94 76.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.63 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.628 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 47.6 ttm -74.82 -37.01 62.43 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.937 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.36 82.57 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.136 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 62.2 mtm180 -63.13 -50.08 71.88 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.186 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.99 -51.86 64.89 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.14 -28.93 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.38 -42.64 96.05 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 87.3 mm-40 -63.37 -51.21 66.85 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.03 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -60.06 -41.67 92.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.81 -43.74 95.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.917 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.658 ' O ' HG12 ' A' ' 24' ' ' ILE . 24.9 ttpp -54.54 -55.12 32.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.82 -46.05 83.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.88 -30.64 66.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.746 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.3 -38.19 24.69 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 20' ' ' LYS . 37.2 pt -89.3 -7.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.636 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -102.43 -41.42 6.31 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.461 0.172 . . . . 0.0 110.699 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 38.4 tt0 -136.69 167.23 21.82 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.688 0.28 . . . . 0.0 110.267 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.434 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 89.91 8.5 67.09 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -100.68 163.81 12.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.65 0.38 . . . . 0.0 110.18 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 29' ' ' LEU . 2.3 mm? -92.45 132.59 31.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -63.15 155.96 58.15 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.427 2.085 . . . . 0.0 112.446 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -63.39 -18.46 63.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 109.992 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -81.38 105.35 12.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.556 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.603 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -83.67 106.29 15.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.139 178.427 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -79.89 111.72 23.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.488 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 61.9 Cg_endo -87.99 1.78 6.63 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.202 2.601 . . . . 0.0 111.929 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -69.17 113.65 6.72 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.876 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -72.11 -34.78 3.04 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.563 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 17.1 Cg_exo -70.03 51.87 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.466 2.111 . . . . 0.0 113.035 175.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.6 -25.64 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 110.76 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.21 -40.46 64.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.675 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -67.45 -29.18 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -76.98 -33.74 57.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -78.49 -48.23 15.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.96 -39.97 33.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.413 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.7 t70 56.47 78.8 0.36 Allowed Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.069 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.42 151.33 80.32 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.574 2.183 . . . . 0.0 111.662 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.34 -32.48 3.08 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 143.63 83.85 Favored Pre-proline 0 C--N 1.331 -0.225 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 173.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.97 125.12 5.82 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.207 1.938 . . . . 0.0 112.587 -177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -74.65 5.54 4.76 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.582 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.6 p -55.31 -30.89 61.07 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.379 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.564 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.6 pp -64.21 -40.62 89.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.558 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 52' ' ' ILE . 91.3 mt -66.07 -32.76 74.41 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.156 0.503 . . . . 0.0 109.916 176.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -68.21 -44.85 74.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.894 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.435 ' HG3' ' HA ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -86.99 -20.38 27.33 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -171.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 52' ' ' ILE . 9.8 p -68.13 149.75 49.21 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.306 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -98.16 125.26 43.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -103.72 142.06 35.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.661 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.93 53.47 1.63 Allowed Glycine 0 CA--C 1.507 -0.458 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' HD3' HD23 ' A' ' 62' ' ' LEU . 64.0 mttm -80.44 160.9 25.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.681 0.753 . . . . 0.0 111.909 -174.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.408 ' O ' ' SD ' ' A' ' 63' ' ' MET . 7.3 m -121.91 26.29 8.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.183 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.544 HD23 ' HD3' ' A' ' 60' ' ' LYS . 4.5 pp -79.55 142.74 35.45 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.429 -178.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.45 ' HG2' HD11 ' A' ' 106' ' ' ILE . 2.4 mpp? -122.58 151.66 41.2 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.325 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.582 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 59.2 mtt -114.6 121.52 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.92 171.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.457 ' HE1' ' HB2' ' A' ' 134' ' ' GLU . 78.5 m-85 -91.1 128.35 36.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.109 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.469 HG13 HG22 ' A' ' 131' ' ' VAL . 51.7 t -127.34 101.8 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.783 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 26.1 m -74.49 113.87 12.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.784 HG11 HG21 ' A' ' 80' ' ' ILE . 62.6 t -101.1 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.124 -173.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.458 ' OG ' ' HB2' ' A' ' 76' ' ' GLU . 18.1 m -78.51 -45.29 22.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -175.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' N ' ' HB2' ' A' ' 103' ' ' ASP . . . 76.47 -10.06 18.67 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.896 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.595 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 4.0 p30 -125.65 162.23 46.1 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.595 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 18.3 Cg_endo -57.3 -18.73 31.78 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.168 2.579 . . . . 0.0 114.89 -169.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -62.14 99.88 0.15 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.65 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.517 ' HB2' ' OG ' ' A' ' 102' ' ' SER . 43.4 tt0 -67.67 -21.19 65.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.479 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.623 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -62.75 -44.22 96.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.797 -173.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.458 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.4 mm-40 -60.44 -51.43 69.53 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.85 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -59.5 -39.84 85.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.732 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -46.53 87.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.626 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 58.0 mm-40 -60.2 -52.3 65.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.293 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.784 HG21 HG11 ' A' ' 68' ' ' VAL . 11.1 tp -63.09 -36.58 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.743 -176.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -66.49 -43.26 85.83 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.474 ' HA ' HE21 ' A' ' 85' ' ' GLN . 5.5 p -64.67 -42.86 95.07 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.836 0.351 . . . . 0.0 110.504 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.9 mt -57.22 -44.2 83.51 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.286 176.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.404 ' O ' HD13 ' A' ' 88' ' ' LEU . 24.5 m0 -66.64 -52.14 48.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.698 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.474 HE21 ' HA ' ' A' ' 82' ' ' SER . 28.4 pt20 -59.75 -26.59 65.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.336 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.25 -61.68 3.59 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.018 172.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.3 m -57.35 -48.67 78.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.648 0.379 . . . . 0.0 111.911 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 84' ' ' TRP . 11.0 mp -59.85 -43.67 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -177.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -72.25 -20.95 61.46 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.442 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -66.8 -26.93 67.18 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.48 10.01 36.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.557 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.3 t30 65.88 24.36 11.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.521 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -75.01 92.74 2.63 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.11 -0.369 . . . . 0.0 110.077 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.84 88.71 2.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.099 0.476 . . . . 0.0 109.936 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.9 t -129.94 150.94 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -100.39 139.79 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.615 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -130.22 121.76 26.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.257 -173.139 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -125.36 159.59 31.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 99' ' ' ILE . 14.8 tt -119.71 89.35 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.796 0.808 . . . . 0.0 110.951 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.6 m -108.0 114.52 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.935 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.1 102.73 2.48 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -169.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 74' ' ' GLU . 7.5 t -49.73 -22.6 1.44 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.41 ' HB2' ' N ' ' A' ' 70' ' ' GLY . 14.8 p-10 -101.26 0.88 38.17 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -146.93 162.68 38.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.119 0.485 . . . . 0.0 111.834 -171.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.3 160.4 29.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.634 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.45 HD11 ' HG2' ' A' ' 63' ' ' MET . 10.5 tt -132.79 121.05 43.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.001 0.429 . . . . 0.0 110.729 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.52 113.72 27.4 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 52.5 ttp -96.13 115.67 27.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 118' ' ' ILE . 6.3 mp -92.01 139.42 30.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.295 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -78.08 -37.52 46.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.1 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.74 146.6 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.211 175.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.89 31.97 6.48 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.606 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -63.63 -55.21 25.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.949 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -102.3 28.36 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.02 75.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.613 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -73.31 -33.97 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.62 -53.04 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.518 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 109' ' ' LEU . 11.3 tt -61.52 -38.23 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.86 -45.85 91.16 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.411 ' HA ' HG22 ' A' ' 123' ' ' VAL . 25.6 t70 -61.77 -40.75 96.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.33 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.77 -47.79 83.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.238 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 95.8 mt -61.62 -42.88 99.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.397 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 120' ' ' ASP . 25.1 m -76.21 -24.71 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.463 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 t -70.54 -26.27 63.48 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.778 0.323 . . . . 0.0 110.397 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.56 ' HB2' ' SG ' ' A' ' 128' ' ' CYS . 24.7 mm-40 -59.93 130.31 46.13 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.244 0.545 . . . . 0.0 111.084 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.0 -26.78 62.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.972 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -85.29 -3.48 58.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.364 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 125' ' ' GLN . 77.9 m -85.59 118.66 25.24 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.01 -51.59 6.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.579 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 40.4 mt-10 -130.74 131.04 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.21 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 66' ' ' VAL . 61.3 t -131.82 115.75 28.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.3 m -149.11 129.44 13.77 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.891 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.582 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.3 pp -86.64 151.1 23.72 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.466 176.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.457 ' HB2' ' HE1' ' A' ' 65' ' ' PHE . 41.8 tt0 -73.92 97.24 2.76 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.677 0.275 . . . . 0.0 110.663 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.568 ' HA3' ' HE1' ' A' ' 138' ' ' TYR . . . 142.72 153.92 6.01 Favored Glycine 0 N--CA 1.453 -0.18 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.921 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.34 65.77 8.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.883 0.341 . . . . 0.0 110.712 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 92.6 mmm 51.14 90.52 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.83 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.568 ' HE1' ' HA3' ' A' ' 135' ' ' GLY . 28.3 p90 -129.53 110.26 17.6 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.721 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -76.84 -23.2 11.07 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.078 2.519 . . . . 0.0 112.373 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.91 130.45 45.12 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.891 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.9 -0.571 . . . . 0.0 110.387 -178.232 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -151.86 -89.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -129.39 -29.85 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -53.63 -29.38 37.86 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.214 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.26 -49.92 72.83 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.372 0.606 . . . . 0.0 109.737 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -67.84 -42.35 81.53 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.251 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' A' ' 11' ' ' MET . 14.1 m120 -56.27 -59.21 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 15.5 t70 -52.44 -63.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.908 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.608 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -52.59 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.002 0.43 . . . . 0.0 110.987 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.42 -60.71 3.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.401 -173.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.534 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.8 ttm -69.18 -43.1 74.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -170.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.63 -41.67 68.55 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.504 -177.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.0 mmt180 -75.22 -11.52 60.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.18 -53.12 8.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.432 166.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? -138.26 66.54 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.602 0.715 . . . . 0.0 111.276 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ALA . 31.0 tt0 -58.13 -10.27 1.83 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.719 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -39.42 -47.59 1.82 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -69.94 -40.22 75.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.498 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.77 -49.63 75.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' O ' HG13 ' A' ' 24' ' ' ILE . 88.5 tttt -60.97 -49.2 78.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.808 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.2 -54.06 50.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.009 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.68 -31.88 72.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.31 -42.51 83.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.517 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 20' ' ' LYS . 80.2 mt -65.48 -48.0 84.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -59.57 -37.2 77.83 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.136 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 68.76 6.24 5.42 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.117 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.84 90.23 0.01 OUTLIER Glycine 0 CA--C 1.521 0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 113.583 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -78.25 92.71 4.52 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 66.8 mt -66.77 151.43 96.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.91 -175.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 9.3 Cg_exo -73.28 33.16 0.32 Allowed 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.034 2.489 . . . . 0.0 111.915 174.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 29' ' ' LEU . 44.9 tt0 -76.72 -8.84 58.05 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.746 -177.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -68.58 112.95 5.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 1.7 tpmt? -68.91 118.62 12.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -172.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 5.8 ppt_? -70.49 144.95 92.26 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.473 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 4.5 Cg_exo -81.4 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.489 2.126 . . . . 0.0 111.734 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -87.43 133.25 33.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -79.31 -49.05 1.47 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.215 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.8 Cg_exo -76.13 86.6 1.51 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.319 2.013 . . . . 0.0 112.065 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.4 pt -99.33 3.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.39 -54.01 30.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.481 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -59.53 -40.97 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -69.11 -33.35 73.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -76.7 -40.83 47.52 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.995 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.91 -27.71 39.88 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t70 54.29 91.57 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.397 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.799 173.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -86.83 -173.72 1.22 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.764 2.309 . . . . 0.0 111.604 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.84 -30.86 8.26 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.952 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -83.6 149.63 57.83 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.99 -5.13 4.37 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.102 2.535 . . . . 0.0 113.365 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -0.02 37.2 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.549 0.214 . . . . 0.0 111.409 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.453 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 70.3 m -53.13 -28.79 27.53 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.338 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 53' ' ' LEU . 27.0 pt -63.45 -47.12 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.575 174.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' N ' HG13 ' A' ' 52' ' ' ILE . 3.5 tm? -63.76 -35.76 81.65 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 51' ' ' SER . 14.8 ttmm -65.45 -44.74 86.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.963 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -84.65 -20.43 31.33 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.792 -174.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.8 m -66.74 105.1 1.47 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.957 0.408 . . . . 0.0 110.488 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 8.5 mtmp? -121.94 155.8 34.72 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.083 -176.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 59' ' ' GLY . 3.8 tmmm? -78.38 140.17 38.74 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 58' ' ' LYS . . . 120.65 72.59 0.33 Allowed Glycine 0 N--CA 1.453 -0.205 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HD2' ' HB3' ' A' ' 108' ' ' MET . 65.0 mttm -77.95 146.87 35.24 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -174.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.9 p -83.52 -30.41 27.14 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -168.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -142.18 128.27 19.68 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.449 ' SD ' ' N ' ' A' ' 63' ' ' MET . 2.5 mpp? -126.81 113.0 16.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.417 ' HB3' ' HG ' ' A' ' 133' ' ' LEU . 18.2 ptp -107.76 125.06 50.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 0.0 111.121 -176.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -89.69 117.04 28.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.985 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG21 HD13 ' A' ' 122' ' ' LEU . 21.9 t -98.26 111.52 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.519 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 m -78.25 100.21 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 80' ' ' ILE . 21.5 t -102.15 -61.38 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -171.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.71 ' HB2' ' ND2' ' A' ' 71' ' ' ASN . 81.1 p -83.29 -66.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.782 -167.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.54 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 90.04 10.11 64.88 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -174.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.71 ' ND2' ' HB2' ' A' ' 69' ' ' SER . 7.7 p30 -126.61 145.21 52.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -67.1 -28.44 41.03 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.111 2.541 . . . . 0.0 112.88 -174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 10.5 p -63.43 117.5 6.78 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.1 0.476 . . . . 0.0 110.835 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 2.5 mp0 -64.62 -33.27 75.55 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.826 -173.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.1 ptmm? -37.8 -48.41 1.1 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.823 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.57 -56.66 14.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.93 0.395 . . . . 0.0 111.082 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.493 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.0 t -65.31 -30.87 71.77 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.386 -177.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.97 -52.24 66.25 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 25.3 mm-40 -59.98 -58.63 7.72 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.992 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.694 HG21 HG11 ' A' ' 68' ' ' VAL . 8.9 tp -60.06 -43.87 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.49 -173.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 m -67.63 -30.9 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.525 0.203 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.1 t -64.73 -44.44 90.16 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 79' ' ' GLU . 4.5 mm? -60.61 -48.65 80.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.465 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 25.8 m0 -60.32 -41.54 93.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.486 177.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -54.17 -51.96 62.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.912 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.65 76.28 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.05 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.6 t -59.11 -47.19 86.17 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.721 0.296 . . . . 0.0 111.2 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 85.1 mt -66.81 -40.23 87.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.809 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.49 -25.8 64.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.567 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.23 -35.88 68.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.65 -3.69 42.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.593 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 67.1 27.03 8.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.366 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -70.3 128.14 35.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.321 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.5 73.68 4.07 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.604 0.716 . . . . 0.0 109.281 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.6 HG12 ' HG ' ' A' ' 109' ' ' LEU . 35.4 m -125.84 157.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.757 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.551 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 25.2 mm-40 -125.26 145.58 49.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 177.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.779 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -121.69 129.27 52.63 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.534 ' HB2' HG23 ' A' ' 106' ' ' ILE . 97.2 m-85 -137.76 146.62 43.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 0.0 110.239 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -110.84 124.59 67.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.438 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 100' ' ' VAL . 3.7 p -151.26 101.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.62 101.22 0.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -170.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.472 ' HA ' HG21 ' A' ' 77' ' ' THR . 45.1 t -47.64 -31.54 4.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -170.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.54 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 3.5 m-20 -52.08 -37.17 53.01 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.934 0.397 . . . . 0.0 111.453 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.458 ' O ' ' HD2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -139.34 138.67 36.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.585 -173.706 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.07 140.8 39.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 98' ' ' PHE . 6.8 tt -100.6 125.5 54.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 110.876 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -107.85 113.32 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.578 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.551 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 62.2 mtt -93.45 135.45 34.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.336 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.6 ' HG ' HG12 ' A' ' 95' ' ' VAL . 6.0 mp -127.16 122.53 34.39 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -76.85 -30.35 56.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.364 0.602 . . . . 0.0 109.541 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.64 138.08 54.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.23 -0.896 . . . . 0.0 108.892 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.16 21.8 8.68 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.808 -172.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.0 p -66.73 -36.69 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.631 0.716 . . . . 0.0 110.019 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -98.26 19.45 14.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.927 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.91 66.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 111.349 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -77.51 -30.76 53.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.581 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.74 -46.93 62.11 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.582 HG21 HD21 ' A' ' 109' ' ' LEU . 11.7 tt -67.81 -41.53 85.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.326 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.75 -43.15 94.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.993 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.538 ' HA ' HG22 ' A' ' 123' ' ' VAL . 31.4 t70 -58.94 -47.32 85.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.025 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -54.22 -42.89 70.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.66 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.489 HD13 HG21 ' A' ' 66' ' ' VAL . 89.4 mt -69.23 -43.27 74.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.284 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 120' ' ' ASP . 24.5 m -79.44 -8.79 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 m -74.82 -4.72 39.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.41 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.52 ' HG3' ' H ' ' A' ' 128' ' ' CYS . 6.4 tp-100 -59.73 117.64 5.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 110.077 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.68 -22.14 47.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.311 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -76.24 -47.66 23.11 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.935 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.52 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 16.5 p 166.68 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.427 0.691 . . . . 0.0 109.685 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -173.15 156.94 3.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 111.475 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -160.37 132.43 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 172.371 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 66' ' ' VAL . 50.0 t -118.69 106.9 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 -173.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.7 m -99.64 126.24 45.61 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.417 ' HG ' ' HB3' ' A' ' 64' ' ' MET . 6.8 mp -96.8 129.56 44.21 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.021 0.438 . . . . 0.0 112.057 -174.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.2 143.09 49.79 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 170.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.16 -167.82 30.12 Favored Glycine 0 N--CA 1.454 -0.107 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.95 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -74.48 -22.78 58.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.013 0.435 . . . . 0.0 110.568 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 55.2 ttp -110.73 101.92 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.506 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -138.83 92.0 11.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.458 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -68.53 -25.34 35.1 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.991 2.46 . . . . 0.0 111.927 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 82.62 -72.52 2.81 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.937 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.463 ' HB3' ' NZ ' ' A' ' 141' ' ' LYS . 6.1 ttpm? . . . . . 0 C--O 1.247 0.927 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.15 135.41 35.78 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.656 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -122.34 5.09 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.123 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.478 ' NH1' ' HB2' ' A' ' 8' ' ' ASP . 2.3 tmt_? -64.62 -37.22 86.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.586 -176.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.02 -49.24 78.23 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.519 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -60.16 -47.12 87.27 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.986 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.538 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.2 m-20 -55.34 -50.23 70.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.826 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.478 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 21.6 t70 -50.22 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.622 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -55.17 38.5 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.743 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.26 -55.19 9.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.619 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 15.1 mmt -62.8 -37.38 86.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.386 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -60.88 -64.37 0.98 Allowed 'General case' 0 CA--C 1.526 0.039 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.174 176.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 26.1 mmt180 -66.21 -14.35 61.77 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -173.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' HB3' HD23 ' A' ' 15' ' ' LEU . 56.4 tp -85.35 -53.18 5.38 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.123 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -127.62 38.1 4.1 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.091 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 11.8 pt-20 -58.98 -4.43 0.47 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -46.79 -54.47 9.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.945 0.498 . . . . 0.0 111.205 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -69.86 -32.67 71.17 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.94 -60.97 2.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.607 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' ILE . 14.8 ptmm? -63.26 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.32 -51.87 65.93 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.285 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -34.44 77.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.827 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -23.37 61.85 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 20' ' ' LYS . 83.1 mt -82.82 -35.52 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.031 0.443 . . . . 0.0 110.36 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.86 -39.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.987 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.72 177.52 10.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.16 87.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.419 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.57 89.82 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.925 0.393 . . . . 0.0 110.662 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -110.62 99.46 41.51 Favored Pre-proline 0 C--O 1.235 0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.93 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -89.55 148.25 5.13 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.894 2.396 . . . . 0.0 112.036 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -88.94 -19.41 25.79 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.221 0.534 . . . . 0.0 109.809 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -91.14 114.6 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.66 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 87.1 tttt -86.1 168.27 14.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.249 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.541 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -50.35 112.07 2.57 Favored Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.715 0.406 . . . . 0.0 110.504 175.563 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.8 -41.31 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.177 1.918 . . . . 0.0 112.164 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 p -115.48 138.72 50.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.971 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -83.2 -50.84 0.68 Allowed Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 173.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.7 Cg_exo -76.44 108.37 2.65 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.222 1.948 . . . . 0.0 111.671 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.6 pt -66.72 -21.41 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HD13 ' A' ' 44' ' ' LEU . 31.9 t70 -50.89 -59.87 3.67 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 90.3 m-85 -62.38 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.502 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 t -61.4 -43.5 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -74.82 -31.29 61.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.646 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 40' ' ' ASP . 10.1 mp -71.56 -22.71 61.71 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 172.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 64.51 91.62 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.833 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 38.4 Cg_endo -65.9 -47.54 3.64 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.695 2.263 . . . . 0.0 112.519 -175.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 -63.14 3.34 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.973 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 3.5 mppt? -67.64 119.17 64.02 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 122.328 0.251 . . . . 0.0 110.788 -177.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.35 -20.06 69.48 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.027 2.485 . . . . 0.0 112.344 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.03 13.62 1.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.553 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 32.7 t -52.85 -38.75 61.88 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.18 0.514 . . . . 0.0 110.187 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.676 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.3 pp -60.63 -40.8 85.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 175.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 52' ' ' ILE . 42.8 tp -75.0 -23.47 58.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.235 0.54 . . . . 0.0 109.922 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 51' ' ' SER . 24.0 tptm -66.65 -48.34 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.959 175.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -84.66 -21.23 30.31 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.015 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 95.1 m -87.58 109.35 19.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.95 0.405 . . . . 0.0 110.747 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -94.9 137.1 34.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.018 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -94.8 160.99 14.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.54 57.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -79.03 146.02 33.55 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.067 0.46 . . . . 0.0 110.764 -179.074 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.9 t -101.05 -16.69 17.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.686 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 63' ' ' MET . 1.3 tm? -148.98 141.6 24.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.592 ' N ' HD13 ' A' ' 62' ' ' LEU . 21.7 ptm -146.44 142.33 28.03 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.404 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 52.1 mtt -123.5 123.94 41.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.23 -172.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -90.9 96.51 10.67 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.525 HG21 HD13 ' A' ' 122' ' ' LEU . 16.4 t -90.67 104.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.603 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 m -76.28 97.19 4.12 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.781 HG11 HG21 ' A' ' 80' ' ' ILE . 24.1 t -101.64 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.186 -173.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 25.4 t -63.81 -67.01 0.46 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.825 -173.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.477 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 75.08 -1.36 55.93 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.833 -175.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.494 HD22 HH12 ' A' ' 127' ' ' ARG . 8.2 p30 -126.14 151.81 72.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 122.775 0.43 . . . . 0.0 109.861 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.74 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.275 2.65 . . . . 0.0 113.64 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 p -59.3 97.07 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.356 0.598 . . . . 0.0 111.103 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.4 -27.22 14.92 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.308 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.554 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 3.8 mptp? -45.57 -41.17 9.63 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.563 0.54 . . . . 0.0 111.304 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.53 -60.11 4.31 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.215 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.426 ' HA ' HG22 ' A' ' 80' ' ' ILE . 13.6 t -68.16 -36.09 79.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -176.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.52 -58.19 9.67 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.402 0.62 . . . . 0.0 110.326 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' O ' HD13 ' A' ' 83' ' ' LEU . 44.6 mt-10 -62.4 -45.38 93.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.109 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.781 HG21 HG11 ' A' ' 68' ' ' VAL . 9.7 tp -62.24 -38.69 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.664 -177.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.3 m -65.51 -35.26 80.34 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.2 m -63.17 -41.78 99.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 79' ' ' GLU . 9.6 mp -63.11 -47.59 82.15 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.468 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 22.9 m0 -61.39 -41.19 96.73 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.89 -51.83 59.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.063 177.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.27 52.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.025 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 m -58.64 -48.39 81.18 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 88.0 mt -64.67 -39.06 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.84 -9.96 59.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.512 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -74.13 -37.5 64.05 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.9 2.24 56.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.597 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t30 57.99 62.65 1.99 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.737 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -93.45 99.42 11.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.681 ' HB2' ' HE ' ' A' ' 110' ' ' ARG . 4.8 m-20 -65.27 82.49 0.05 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 m -125.32 157.76 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.656 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.748 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 45.8 mt-30 -102.01 151.63 21.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.98 122.42 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.02 -177.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -137.72 158.97 43.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -111.48 108.97 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.586 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.73 116.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.54 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.404 ' HA3' HH11 ' A' ' 104' ' ' ARG . . . 77.02 102.6 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -173.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 m -43.8 -26.51 0.26 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.477 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 8.5 m-20 -66.04 -41.97 90.17 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.572 ' H ' ' HD2' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -128.06 160.84 30.73 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.505 0.669 . . . . 0.0 112.205 -170.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.15 148.46 44.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.836 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.823 HG13 ' SD ' ' A' ' 108' ' ' MET . 6.5 tp -111.38 122.96 66.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.11 0.481 . . . . 0.0 111.246 -175.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.1 134.67 53.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.168 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.823 ' SD ' HG13 ' A' ' 106' ' ' ILE . 3.3 mpp? -116.24 123.19 47.11 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.526 0.33 . . . . 0.0 110.532 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.1 mt -102.68 122.27 44.1 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.363 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.681 ' HE ' ' HB2' ' A' ' 94' ' ' ASP . 13.3 ptt180 -80.03 -22.98 41.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.38 142.87 50.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.754 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.95 5.32 32.25 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.404 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 m -67.47 -20.17 65.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.236 0.518 . . . . 0.0 110.964 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.426 ' O ' HG22 ' A' ' 118' ' ' ILE . 45.8 p90 -124.13 27.87 6.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.82 -60.53 3.56 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.378 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.503 ' HE3' ' HA ' ' A' ' 116' ' ' TRP . 1.4 m95 -70.53 -26.27 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.383 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.38 -57.37 12.54 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.627 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.497 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -64.75 -33.43 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.156 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -54.03 -52.11 61.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.48 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.661 ' HA ' HG22 ' A' ' 123' ' ' VAL . 7.2 m-20 -66.85 -38.4 86.3 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.579 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -55.13 -40.04 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.395 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.525 HD13 HG21 ' A' ' 66' ' ' VAL . 92.5 mt -72.89 -52.25 15.45 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.265 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 120' ' ' ASP . 20.9 m -68.46 -16.41 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.744 0.307 . . . . 0.0 111.734 -175.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -74.89 -0.58 18.99 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.609 ' NE2' HD11 ' A' ' 80' ' ' ILE . 6.4 tp-100 -63.36 156.66 25.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.1 -47.55 74.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.552 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.494 HH12 HD22 ' A' ' 71' ' ' ASN . 30.2 ttm180 -82.77 2.35 34.39 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.684 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m 69.6 -67.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.598 0.759 . . . . 0.0 111.278 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.67 119.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.564 0.54 . . . . 0.0 111.575 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -79.64 113.13 17.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.984 0.421 . . . . 0.0 110.34 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 66' ' ' VAL . 7.7 p -92.01 119.37 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 110.97 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.2 m -107.11 108.99 20.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.4 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.511 HD23 HD11 ' A' ' 62' ' ' LEU . 3.9 mp -95.44 155.68 16.64 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -173.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -88.79 149.93 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.267 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 91.67 60.56 1.27 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -174.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -64.46 82.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.439 0.638 . . . . 0.0 110.88 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -127.67 -0.56 6.12 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.152 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.528 ' N ' ' HD2' ' A' ' 139' ' ' PRO . 63.7 t80 179.21 -51.56 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.603 -173.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 138' ' ' TYR . 47.7 Cg_endo -68.18 4.34 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 122.466 2.111 . . . . 0.0 113.301 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -145.13 177.99 23.2 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.118 -177.02 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.197 -0.361 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.03 84.85 0.71 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 pt -132.72 -30.79 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.264 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -66.54 -32.29 73.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.693 -177.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.41 -43.29 94.84 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.189 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -59.97 -48.64 80.87 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.388 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.557 ' O ' ' HB2' ' A' ' 11' ' ' MET . 32.3 m-80 -58.32 -52.6 64.93 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.904 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.13 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -58.42 6.46 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.06 -173.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.35 -44.44 75.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.866 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 22.9 mmt -70.78 -37.71 73.37 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.188 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.04 -57.5 12.29 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -50.63 -48.13 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.004 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -56.26 -45.97 79.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 11' ' ' MET . 4.6 mm? -78.41 -19.39 53.36 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.83 -177.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 48.8 mt-10 -81.1 -40.64 23.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.431 0.158 . . . . 0.0 110.716 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -52.55 -73.64 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.849 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -51.71 -36.68 47.73 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.676 0.274 . . . . 0.0 111.139 -174.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.66 -65.48 0.67 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.05 0.452 . . . . 0.0 110.916 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 22.7 pttp -71.23 -39.81 71.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.055 -174.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.4 -35.83 78.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.527 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.49 -34.12 58.65 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.21 -41.26 96.53 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.539 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.0 mt -75.93 -42.18 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.173 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.36 -63.11 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -86.61 -60.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.22 30.65 77.18 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.082 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -139.2 100.59 4.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.39 141.03 25.15 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.816 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.85 99.73 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.542 2.161 . . . . 0.0 111.856 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.38 -20.66 62.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.194 0.521 . . . . 0.0 110.019 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -117.02 104.86 11.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.733 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -90.38 153.35 20.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -59.14 130.58 86.92 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.677 175.268 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -57.07 -49.43 14.25 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.875 2.384 . . . . 0.0 112.434 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.526 ' O ' ' HD3' ' A' ' 34' ' ' ARG . 39.8 t -69.71 108.93 4.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.372 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.39 -48.54 0.16 Allowed Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 91.7 Cg_endo -78.69 48.84 2.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 122.388 2.059 . . . . 0.0 113.383 -173.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.44 HD11 ' NH1' ' A' ' 34' ' ' ARG . 59.8 mt -53.84 -55.66 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -55.35 -45.54 76.46 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.474 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 38' ' ' PRO . 89.8 m-85 -59.7 -36.94 77.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -68.73 -30.61 69.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.499 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -68.37 -39.43 81.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.18 -33.67 73.74 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 66.91 90.65 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.17 175.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -74.18 168.22 25.32 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.445 2.096 . . . . 0.0 111.205 172.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.25 -39.42 2.83 Favored Glycine 0 C--O 1.234 0.156 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -91.25 108.46 28.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.14 -72.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.528 2.152 . . . . 0.0 111.995 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 53' ' ' LEU . 32.5 tt0 55.22 27.85 10.3 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.007 0.908 . . . . 0.0 109.068 -175.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 p -52.95 -39.22 62.75 Favored 'General case' 0 N--CA 1.458 -0.05 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.72 -173.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 53' ' ' LEU . 23.4 pt -56.27 -55.73 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.218 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' N ' HG13 ' A' ' 52' ' ' ILE . 61.9 tp -69.77 -28.01 65.4 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.123 0.487 . . . . 0.0 110.463 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -73.94 -42.37 60.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.864 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -82.09 -22.78 36.09 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.954 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.5 p -82.41 130.69 35.16 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.024 0.44 . . . . 0.0 110.662 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.78 127.05 35.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.875 177.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -80.83 147.67 30.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.222 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.11 63.43 0.26 Allowed Glycine 0 N--CA 1.452 -0.259 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -79.23 118.03 20.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.323 . . . . 0.0 110.605 -174.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.2 p -83.97 28.41 0.6 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.889 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt -80.44 100.19 8.37 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.649 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 60.3 mtp -121.2 140.79 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 63.6 mtt -126.72 120.78 30.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.794 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CZ ' HD12 ' A' ' 106' ' ' ILE . 76.6 m-85 -95.86 126.52 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 171.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.774 HG21 HD13 ' A' ' 122' ' ' LEU . 45.2 t -127.89 118.91 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.497 0.189 . . . . 0.0 110.708 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 129' ' ' ALA . 5.5 t -79.1 100.79 7.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.326 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 69' ' ' SER . 4.0 p -101.0 -57.55 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.492 -168.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.469 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 55.8 p -70.81 -62.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 111.3 -171.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.22 5.38 81.16 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.09 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.436 HD21 ' HB2' ' A' ' 76' ' ' GLU . 3.9 p-10 -125.85 146.98 57.17 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.22 -38.75 73.97 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.056 2.504 . . . . 0.0 113.369 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -67.3 118.27 10.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 111.388 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 77' ' ' THR . 12.4 pt-20 -75.2 -20.97 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -172.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.594 ' HD3' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -52.98 -37.13 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.357 178.601 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.594 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 12.8 mm-40 -65.4 -52.39 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.427 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 74' ' ' GLU . 15.3 t -63.41 -33.55 75.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.763 0.316 . . . . 0.0 110.277 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.46 -50.65 66.68 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.21 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 62.8 mm-40 -58.1 -55.97 28.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.413 HG12 HE22 ' A' ' 125' ' ' GLN . 9.3 tp -66.61 -39.17 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -174.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.5 m -67.45 -35.24 78.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.577 0.227 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.6 p -70.19 -37.15 75.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.022 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 96.6 mt -61.74 -44.77 96.27 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 110.029 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.59 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.6 m0 -56.94 -56.16 25.29 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.235 175.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.458 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 8.8 tt0 -47.02 -53.81 11.66 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.646 0.591 . . . . 0.0 110.583 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.41 -52.96 44.19 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.21 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 m -57.23 -39.58 75.82 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.646 0.26 . . . . 0.0 111.276 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 80.4 mt -64.4 -39.58 94.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.019 0.438 . . . . 0.0 110.779 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.458 ' HD1' ' O ' ' A' ' 85' ' ' GLN . 47.0 m-85 -78.4 -26.84 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -75.15 -26.88 59.47 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.47 5.86 22.34 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 65.99 19.61 11.23 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.079 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -66.63 -59.07 3.94 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.558 ' HB3' HH12 ' A' ' 110' ' ' ARG . 28.1 t70 64.12 103.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 -171.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 166.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.055 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.67 ' HB3' ' HB3' ' A' ' 108' ' ' MET . 48.0 tp60 -100.02 138.16 37.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.632 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -134.76 141.13 46.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 111.275 -168.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' HB2' HG23 ' A' ' 106' ' ' ILE . 59.8 m-85 -141.33 157.65 44.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.208 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -121.11 90.16 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 109.946 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 100' ' ' VAL . 18.8 m -108.88 99.91 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.919 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.64 103.23 0.99 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 p -44.09 -33.27 1.42 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.44 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 13.5 t70 -63.08 -37.66 88.11 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.059 0.457 . . . . 0.0 111.917 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 104' ' ' ARG . 10.2 ptm180 -129.38 125.8 37.43 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.255 0.55 . . . . 0.0 111.928 -169.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.05 163.58 13.6 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 98' ' ' PHE . 3.3 tt -138.31 140.05 40.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.473 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -125.99 162.59 24.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.67 ' HB3' ' HB3' ' A' ' 96' ' ' GLN . 51.2 ttm -135.43 119.34 17.38 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 118' ' ' ILE . 5.4 mp -103.67 164.42 11.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.734 -174.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.558 HH12 ' HB3' ' A' ' 94' ' ' ASP . 85.6 mtm-85 -87.72 -55.48 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.682 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -135.44 162.59 32.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.043 0.449 . . . . 0.0 111.079 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.56 ' HA2' ' HB2' ' A' ' 115' ' ' ALA . . . -76.6 -2.42 75.23 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.654 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -52.01 -29.96 23.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.97 0.508 . . . . 0.0 111.815 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.479 ' O ' HG22 ' A' ' 118' ' ' ILE . 35.8 p90 -129.04 12.25 6.12 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.56 ' HB2' ' HA2' ' A' ' 112' ' ' GLY . . . -59.04 -49.9 76.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.492 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -74.22 -26.59 60.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.038 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.83 -49.5 37.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.154 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.674 HG21 HD21 ' A' ' 109' ' ' LEU . 11.7 tt -65.32 -42.31 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.23 -40.74 86.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.9 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.47 -51.66 68.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.85 -38.55 61.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.774 HD13 HG21 ' A' ' 66' ' ' VAL . 81.8 mt -72.58 -53.02 13.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.331 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 129' ' ' ALA . 32.8 m -71.49 -19.92 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.6 m -79.44 -0.72 34.17 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.611 ' HG2' ' H ' ' A' ' 127' ' ' ARG . 36.1 tt0 -66.09 145.73 55.5 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.033 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.68 -19.33 62.22 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.098 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.611 ' H ' ' HG2' ' A' ' 125' ' ' GLN . 71.8 mtt-85 -83.21 7.33 16.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 37.6 m 58.21 43.34 20.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.113 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 123' ' ' VAL . . . -61.86 98.99 0.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.055 -177.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.64 141.31 36.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.144 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.2 p -102.85 155.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.5 m -140.04 120.09 13.67 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.608 HD12 ' HD1' ' A' ' 138' ' ' TYR . 80.6 mt -86.62 118.42 26.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.938 0.399 . . . . 0.0 110.291 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.649 ' HB3' ' HB2' ' A' ' 63' ' ' MET . 7.8 tp10 -95.2 150.39 20.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.372 -178.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 86.07 -152.85 26.16 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -114.04 90.45 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.519 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -168.18 98.31 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.608 ' HD1' HD12 ' A' ' 133' ' ' LEU . 51.4 t80 -161.21 136.75 5.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.52 84.85 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.38 2.053 . . . . 0.0 111.968 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 125.41 -166.29 18.2 Favored Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.92 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 24.0 tptm . . . . . 0 C--O 1.246 0.869 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.522 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -169.54 -174.71 1.97 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mm -63.34 -58.64 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -67.6 -35.6 79.28 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.17 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.36 -46.88 87.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.183 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -58.31 -48.59 80.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.291 176.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -57.11 -65.57 0.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.445 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -54.52 -58.5 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.283 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -62.01 -63.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.786 -174.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 34.6 t70 -63.3 -47.07 83.8 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.758 0.314 . . . . 0.0 111.389 -172.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.401 ' O ' HD23 ' A' ' 15' ' ' LEU . 40.2 ttm -66.96 -36.14 81.53 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.382 -176.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 16' ' ' GLU . . . -62.58 -49.91 73.38 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 14.9 mmp_? -56.96 -26.95 60.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.25 -49.54 13.54 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.411 HD12 ' NE1' ' A' ' 18' ' ' TRP . 4.0 mm? -85.09 7.56 21.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -174.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 34.7 mm-40 -48.36 -28.82 3.43 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.741 0.305 . . . . 0.0 110.786 173.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -47.78 -46.89 30.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.79 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.411 ' NE1' HD12 ' A' ' 15' ' ' LEU . 14.7 m95 -67.81 -41.11 83.6 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.427 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.86 -41.05 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.7 tttt -63.36 -45.52 90.79 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 25.1 t70 -56.93 -46.08 82.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.111 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.64 -44.22 89.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.833 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.57 -36.93 84.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.029 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.7 mt -70.79 -35.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 47.4 mm-40 -70.68 -50.86 32.06 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.34 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' H ' ' A' ' 27' ' ' GLY . 34.6 tt0 -169.95 175.02 5.3 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -174.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' H ' ' HG2' ' A' ' 26' ' ' GLU . . . 92.98 35.87 6.21 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -108.22 129.5 55.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.777 -0.712 . . . . 0.0 110.143 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' GLU . 8.7 mp -102.56 110.32 62.74 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.62 81.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.496 2.797 . . . . 0.0 114.108 -171.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.0 pt-20 -96.08 -13.91 23.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.782 173.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -68.91 135.81 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.34 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.696 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -96.23 176.82 5.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 -177.525 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -86.91 113.62 54.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.033 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.21 -45.52 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.961 1.774 . . . . 0.0 110.008 170.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -132.47 111.07 10.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.938 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.671 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -86.5 -52.04 0.45 Allowed Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.489 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.671 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 16.1 Cg_exo -69.7 124.12 10.8 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.232 1.954 . . . . 0.0 111.567 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.1 tt -60.25 -17.04 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.384 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.92 -41.73 58.91 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -62.91 -37.81 88.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.736 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -75.73 -30.0 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -74.76 -50.48 17.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 -178.349 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.18 -39.28 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.44 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.2 t70 60.1 79.78 0.28 Allowed Pre-proline 0 N--CA 1.468 0.426 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.19 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.36 172.33 12.44 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.906 2.404 . . . . 0.0 112.248 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.1 -44.83 1.18 Allowed Glycine 0 CA--C 1.511 -0.215 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.05 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -72.97 129.82 85.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.323 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -86.25 158.13 9.72 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.734 2.289 . . . . 0.0 112.394 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 43.4 mt-10 -106.65 28.5 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.658 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.8 p -43.84 -64.94 0.57 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.839 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.8 pp -61.29 -31.59 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.405 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 52' ' ' ILE . 2.9 tm? -64.91 -48.88 72.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HE2' ' HB2' ' A' ' 50' ' ' GLU . 56.6 mmtt -73.48 -29.95 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.041 0.448 . . . . 0.0 109.83 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.6 ttp -74.91 -18.43 60.41 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.01 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -58.6 99.32 0.05 OUTLIER 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.078 0.466 . . . . 0.0 110.113 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -114.22 136.52 52.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.553 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.773 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -83.74 146.38 28.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.554 176.156 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.51 56.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -174.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.594 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -117.31 129.77 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.14 0.495 . . . . 0.0 110.728 -178.745 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -119.44 1.19 11.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.604 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 109' ' ' LEU . 1.4 tt -79.85 110.43 15.2 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.195 0.521 . . . . 0.0 110.194 -173.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.567 ' SD ' HD11 ' A' ' 106' ' ' ILE . 53.8 mtm -131.83 130.55 41.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.351 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.429 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 63.6 mtt -108.05 118.59 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.881 0.372 . . . . 0.0 110.266 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -93.77 106.54 18.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.013 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 131' ' ' VAL . 35.7 t -97.27 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.571 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.0 m -72.77 91.65 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.754 HG11 HG21 ' A' ' 80' ' ' ILE . 57.7 t -81.75 -60.49 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.996 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.485 ' OG ' ' HA ' ' A' ' 103' ' ' ASP . 37.3 p -91.79 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.146 0.498 . . . . 0.0 111.707 -172.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 88.65 -0.95 83.37 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -173.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.589 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 3.9 p30 -126.34 159.64 61.82 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 123.089 0.556 . . . . 0.0 109.531 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.589 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 38.7 Cg_endo -64.36 -23.84 65.05 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.79 2.327 . . . . 0.0 114.317 -167.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.9 p -64.63 96.6 0.18 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.09 0.472 . . . . 0.0 110.892 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.08 -20.21 63.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.98 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -40.7 -56.17 2.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.291 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.45 -58.61 6.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.343 -176.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m -63.48 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.461 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.95 -51.12 63.58 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.001 0.429 . . . . 0.0 110.37 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 83' ' ' LEU . 22.6 mm-40 -58.01 -53.15 61.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.924 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.754 HG21 HG11 ' A' ' 68' ' ' VAL . 9.7 tp -61.49 -37.28 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.676 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.1 m -64.51 -30.81 71.84 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.554 175.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 85' ' ' GLN . 39.9 m -70.7 -40.93 72.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.488 176.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.51 -47.56 85.6 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -63.65 -34.85 78.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.445 ' HB3' ' O ' ' A' ' 82' ' ' SER . 28.4 tt0 -54.21 -62.58 1.56 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.05 -51.29 56.58 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.251 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 m -59.51 -50.34 74.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.82 -47.15 72.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.591 0.234 . . . . 0.0 111.096 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -70.48 -28.34 64.91 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.414 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.41 -31.16 70.31 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.02 9.72 11.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.71 22.14 10.44 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.337 0.655 . . . . 0.0 112.228 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -79.94 89.62 5.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 173.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.526 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 35.8 m-20 -72.82 79.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.89 -179.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.123 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -121.17 154.31 36.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.84 130.13 19.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.064 0.459 . . . . 0.0 110.118 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.476 ' HB2' HG23 ' A' ' 106' ' ' ILE . 57.1 m-85 -131.83 159.68 37.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 102' ' ' SER . 13.2 tt -125.39 89.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.75 0.786 . . . . 0.0 110.782 177.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 100' ' ' VAL . 16.9 m -99.57 100.16 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.952 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.66 103.83 1.7 Allowed Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -169.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.461 ' HA ' HD11 ' A' ' 99' ' ' ILE . 24.3 m -54.84 -7.94 0.22 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -173.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.485 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 3.8 p-10 -91.72 -29.65 16.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.565 0.221 . . . . 0.0 111.172 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -124.32 124.87 43.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.137 0.494 . . . . 0.0 111.646 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.92 127.15 43.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.968 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.567 HD11 ' SD ' ' A' ' 63' ' ' MET . 2.4 tt -99.95 112.82 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.796 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -100.87 120.18 39.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.203 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 50.5 ttm -91.92 132.24 36.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 62' ' ' LEU . 7.8 mp -98.3 165.38 11.89 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.526 ' NH1' ' HB2' ' A' ' 94' ' ' ASP . 40.3 ttt180 -91.12 -32.12 15.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.915 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -164.45 166.06 20.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.493 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.27 -11.59 69.11 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.706 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -56.62 -28.03 59.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.978 0.389 . . . . 0.0 112.018 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -118.84 25.64 10.08 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.498 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 -50.78 72.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.408 ' HE3' ' N ' ' A' ' 116' ' ' TRP . 0.3 OUTLIER -66.32 -31.06 71.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 178.481 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.62 -51.82 60.69 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.569 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.2 tt -69.43 -40.56 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.433 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HD2' HD11 ' A' ' 133' ' ' LEU . 64.7 tttp -60.2 -41.81 93.77 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.997 0.427 . . . . 0.0 110.433 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.549 ' HA ' HG22 ' A' ' 123' ' ' VAL . 24.1 t70 -64.7 -44.96 88.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.703 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -55.95 -40.5 73.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.554 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 96.8 mt -67.26 -42.4 83.95 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 120' ' ' ASP . 20.0 m -79.19 -8.87 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.157 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.7 m -62.57 -15.09 49.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.968 0.413 . . . . 0.0 110.588 172.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.05 133.33 55.99 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.056 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -53.45 -46.36 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 84.9 mtm-85 -87.45 38.54 0.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.533 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.8 p -47.29 110.27 0.29 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.695 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.02 -158.32 0.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.126 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -79.76 117.7 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.214 0.53 . . . . 0.0 112.135 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 66' ' ' VAL . 60.9 t -107.39 97.37 5.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.759 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.5 p -92.55 139.38 30.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.579 HD11 ' HD2' ' A' ' 119' ' ' LYS . 7.0 mp -101.21 134.22 44.59 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.045 0.45 . . . . 0.0 111.296 -177.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -121.46 140.86 51.63 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 171.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 113.35 70.32 0.54 Allowed Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.113 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.03 -75.65 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.064 0.545 . . . . 0.0 111.39 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 23.0 ptm -74.72 100.93 4.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.467 0.651 . . . . 0.0 111.52 -172.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 133' ' ' LEU . 51.4 t80 -154.34 118.19 2.61 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.581 176.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.14 125.35 15.62 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.719 2.279 . . . . 0.0 111.875 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 130.27 55.69 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.4 mptt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.529 -176.626 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 112.027 -0.429 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.491 ' OD1' ' HD3' ' A' ' 4' ' ' ARG . 16.4 t70 -141.92 172.3 12.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.7 tt -61.16 -26.95 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.491 ' HD3' ' OD1' ' A' ' 2' ' ' ASP . 5.4 mpt_? -57.01 -47.26 81.28 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.278 175.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.99 -49.29 76.2 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.407 0.442 . . . . 0.0 110.087 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -55.24 -45.1 76.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.175 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 11' ' ' MET . 95.0 m-20 -61.82 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.943 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.2 p30 -57.63 -50.69 72.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.327 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.76 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.52 0.2 . . . . 0.0 111.468 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.55 -52.83 13.94 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.205 -172.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 10.5 mmt -60.72 -42.2 96.8 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.871 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -70.69 -44.24 67.36 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.076 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -54.16 -31.43 52.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.368 . . . . 0.0 110.583 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -80.18 -44.14 20.33 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.16 24.54 8.55 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.68 0.276 . . . . 0.0 110.943 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 38.3 tt0 -45.85 -52.26 11.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.443 0.697 . . . . 0.0 112.45 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -54.34 -56.51 17.8 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.444 0.64 . . . . 0.0 111.102 -177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -63.58 -39.18 93.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.864 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -71.64 -45.08 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.562 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 12.0 ptmm? -62.79 -47.22 84.43 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.79 -44.7 80.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.04 -40.3 80.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.95 -41.25 87.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.012 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 20' ' ' LYS . 85.9 mt -61.21 -39.7 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.087 0.47 . . . . 0.0 110.512 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -82.61 -21.62 35.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 64.45 19.7 11.89 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.368 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.9 21.36 73.26 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.922 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -79.19 89.45 4.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 76.5 mt -77.56 135.89 64.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.635 -176.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 18.1 Cg_exo -66.85 75.79 0.42 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.698 2.265 . . . . 0.0 111.616 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -88.11 -14.74 38.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 109.651 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -96.93 133.49 41.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.881 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.595 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 1.6 tpmt? -70.51 138.04 50.72 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.653 -175.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.558 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 12.2 tpp180 -68.01 114.19 19.25 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.056 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.558 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 89.9 Cg_endo -82.15 2.42 8.54 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.162 2.574 . . . . 0.0 114.052 -173.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 p -68.07 110.97 4.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.594 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -88.34 -47.8 0.44 Allowed Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.099 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 89.7 Cg_endo -76.82 47.81 2.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 122.511 2.141 . . . . 0.0 112.719 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 pt -53.91 -26.38 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.892 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.49 -61.34 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.529 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.426 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 80.0 m-85 -59.9 -37.22 78.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.509 -177.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -64.95 -32.66 74.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.196 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -81.18 -35.56 31.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.455 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.09 -22.49 62.09 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 61.84 90.4 0.09 OUTLIER Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.055 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 67.1 Cg_endo -71.94 147.76 50.11 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.653 2.235 . . . . 0.0 112.177 -176.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.8 -5.64 34.84 Favored Glycine 0 C--N 1.33 0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.965 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.581 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 45.8 mmtm -98.06 115.15 65.79 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 23.1 Cg_exo -64.33 -79.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.864 2.376 . . . . 0.0 112.745 -175.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.14 1.46 26.24 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.033 -176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.581 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 9.2 m -54.57 -41.57 69.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.8 pp -63.47 -37.03 78.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 52' ' ' ILE . 57.8 tp -75.39 -28.59 59.51 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.312 0.577 . . . . 0.0 110.099 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -80.75 -29.2 36.29 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.778 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.8 ttp -94.6 -22.3 18.27 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.129 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.6 m -110.81 105.23 14.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.764 0.316 . . . . 0.0 110.204 177.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -114.6 122.86 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.688 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.703 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -82.86 160.1 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.782 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.57 60.27 0.43 Allowed Glycine 0 CA--C 1.511 -0.165 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.716 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 11.6 mmpt? -88.43 144.72 26.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.241 -0.48 . . . . 0.0 110.252 -174.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.7 m -90.26 4.4 50.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.732 -171.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp -102.73 109.71 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 63' ' ' MET . 1.3 pmm? -128.84 153.43 47.46 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.777 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 58.1 mtt -127.2 123.41 36.56 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.345 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -92.45 100.32 12.89 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 t -91.29 101.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 130' ' ' GLU . 5.7 t -84.18 102.62 12.73 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.534 0.683 . . . . 0.0 109.727 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 80' ' ' ILE . 43.6 t -102.4 -51.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.111 -173.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 41.9 t -64.45 -72.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.161 -170.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.81 56.61 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.581 -171.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.644 HD22 ' HG3' ' A' ' 76' ' ' GLU . 7.2 p30 -125.8 159.62 60.37 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.592 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 55.8 Cg_endo -67.91 -19.01 46.84 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.505 2.137 . . . . 0.0 114.33 -168.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 75' ' ' LYS . 13.3 p -85.74 168.83 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.145 -0.347 . . . . 0.0 111.039 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 102' ' ' SER . 0.0 OUTLIER -103.64 -31.99 9.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -176.63 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -52.18 -42.0 63.1 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -168.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.644 ' HG3' HD22 ' A' ' 71' ' ' ASN . 0.4 OUTLIER -59.64 -49.81 76.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -175.425 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.583 ' HA ' HG22 ' A' ' 80' ' ' ILE . 58.3 m -74.25 -36.33 63.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.469 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.14 -52.35 64.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 109.697 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.51 -54.36 41.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.799 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.65 HG21 HG11 ' A' ' 68' ' ' VAL . 11.0 tp -59.84 -37.46 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.984 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -68.89 -35.81 77.32 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.0 m -64.82 -38.13 89.96 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.466 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.71 -47.11 85.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -61.51 -36.74 81.39 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.619 ' HG2' ' HD2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -57.65 -53.4 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.06 98.31 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.423 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.433 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 43.3 m -66.55 -58.69 4.68 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -174.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.39 -34.4 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 111.461 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -88.66 -21.46 23.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 18.2 p30 -76.37 -24.7 54.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.45 0.85 57.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.17 173.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 62.24 63.95 1.01 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.119 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -109.2 112.38 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 170.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.27 84.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.02 -176.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.994 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.59 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 3.9 mm-40 -138.98 157.14 46.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.527 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.619 ' HD2' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -156.48 134.97 11.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.592 179.45 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -141.19 155.72 46.02 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.8 96.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.528 0.68 . . . . 0.0 110.04 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.0 p -114.79 105.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.94 99.82 0.35 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 42.4 p -50.48 -20.24 1.09 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -168.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.671 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-20 -60.27 -40.83 91.76 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -132.47 142.35 49.2 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.248 0.547 . . . . 0.0 111.862 -174.625 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.79 128.77 51.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.138 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -92.17 116.5 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 111.005 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -103.5 128.67 50.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.276 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.59 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 65.5 mtt -104.78 127.75 52.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -113.9 168.56 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.614 -174.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.602 ' HA ' ' HG3' ' A' ' 60' ' ' LYS . 56.5 mtp180 -96.56 -56.57 2.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.67 152.46 40.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.555 -170.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.53 -5.38 63.46 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.012 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.2 p -65.8 -72.87 0.14 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.448 0.299 . . . . 0.0 110.88 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.12 -12.9 61.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.432 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 119' ' ' LYS . . . -50.55 -39.32 48.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.381 0.61 . . . . 0.0 110.911 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.672 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 3.2 m95 -71.51 -41.16 69.57 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.698 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.14 -28.99 64.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -76.81 -31.66 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.672 ' HE2' ' HA ' ' A' ' 116' ' ' TRP . 42.0 mtmt -54.4 -56.31 19.88 Favored 'General case' 0 C--N 1.346 0.445 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 168.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.13 -40.73 70.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -58.99 -45.72 89.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.526 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 85.7 mt -63.22 -39.44 94.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.069 0.461 . . . . 0.0 110.091 175.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 119' ' ' LYS . 82.1 t -64.8 -24.62 35.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.622 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.5 m -75.98 -0.81 22.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.472 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 125' ' ' GLN . 9.9 mm-40 -81.2 145.97 30.73 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 111.726 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -49.11 -41.85 37.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.783 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.77 6.86 39.59 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -168.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.7 t 64.65 -73.76 0.05 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 70.48 -169.57 0.16 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.112 0.565 . . . . 0.0 111.006 -176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.527 ' HB3' HG23 ' A' ' 67' ' ' THR . 34.2 tt0 -138.78 147.54 42.72 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.05 138.52 37.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.116 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.4 m -122.55 152.6 40.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.777 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 1.6 pt? -141.62 169.71 17.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.865 0.302 . . . . 0.0 111.306 -177.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.38 140.85 56.96 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.534 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 94.85 28.42 10.14 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -173.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 67.12 -67.63 0.17 Allowed 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.417 0.687 . . . . 0.0 110.556 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -165.08 -50.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.353 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -110.39 146.55 34.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.608 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -67.05 163.45 33.94 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.612 2.208 . . . . 0.0 112.462 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.61 -174.59 9.3 Favored Glycine 0 C--O 1.237 0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.617 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.128 -179.057 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 112.172 -0.371 . . . . 0.0 112.172 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -109.28 -41.62 4.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' HG13 ' A' ' 3' ' ' ILE . 31.5 pt -61.67 116.54 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.891 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 5' ' ' ASP . 12.9 ptm180 -111.48 -44.16 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.284 174.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 4' ' ' ARG . 5.1 m-20 -61.99 -47.33 85.27 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.472 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 73.5 t80 -60.05 -48.5 81.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.218 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.572 ' O ' ' HB3' ' A' ' 11' ' ' MET . 81.0 m-20 -56.34 -65.79 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.269 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.45 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -64.86 0.73 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 2.7 m-20 -67.89 -54.97 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.246 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.572 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.9 ttm -65.66 -34.7 78.82 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.449 -171.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -61.89 -55.73 26.65 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 16.2 mmt180 -62.54 -12.31 21.78 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 80.8 mt -82.79 -42.01 18.45 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.385 0.136 . . . . 0.0 110.987 172.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 11' ' ' MET . 1.6 pp -126.71 38.06 4.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 111.224 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ALA . 9.1 pt-20 -49.01 -16.73 0.15 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -57.15 -49.36 76.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -62.81 -41.59 99.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 110.445 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.08 -45.55 75.4 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.778 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.11 -54.47 44.65 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 11.9 m-20 -73.91 -21.65 59.98 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.382 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.1 -44.16 63.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.732 0.301 . . . . 0.0 110.48 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -76.23 -54.36 13.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -77.6 -16.49 58.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 11.3 tt0 61.28 78.09 0.3 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.5 170.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.66 87.22 0.02 OUTLIER Glycine 0 C--N 1.334 0.44 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.94 172.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.29 129.84 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.652 0.226 . . . . 0.0 110.399 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 90.8 mt -66.79 121.69 78.84 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.342 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 21.4 Cg_exo -66.37 165.77 23.7 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.758 2.305 . . . . 0.0 111.96 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -76.06 2.73 12.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.477 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -98.7 105.23 17.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.987 0.422 . . . . 0.0 110.384 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -120.95 125.93 48.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 31.0 ptt180 -76.83 117.38 64.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.591 0.234 . . . . 0.0 110.453 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 -8.91 19.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.188 . . . . 0.0 111.475 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -123.74 109.95 14.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.626 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -98.43 -52.5 0.2 Allowed Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.034 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 71.9 Cg_endo -82.79 42.69 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.413 2.075 . . . . 0.0 113.058 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.19 -49.51 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.29 -44.05 88.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.49 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.69 -37.45 87.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.771 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -73.35 -28.48 62.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -75.87 -53.59 8.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.345 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.71 -30.83 36.28 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.364 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.2 t70 53.38 76.65 0.51 Allowed Pre-proline 0 N--CA 1.469 0.497 0 CA-C-O 121.116 0.484 . . . . 0.0 110.63 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.47 147.41 32.2 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.371 2.047 . . . . 0.0 111.813 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.2 0.59 41.2 Favored Glycine 0 CA--C 1.516 0.114 0 C-N-CA 121.302 -0.475 . . . . 0.0 112.682 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -69.29 147.69 97.24 Favored Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.07 142.56 34.45 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.878 2.386 . . . . 0.0 112.873 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.91 16.4 5.97 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.007 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.2 m -52.33 -54.41 32.01 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.498 0.319 . . . . 0.0 111.496 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.9 pp -62.62 -34.83 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.815 0.341 . . . . 0.0 110.964 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 52' ' ' ILE . 6.0 tt -64.02 -48.15 77.46 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -70.35 -26.94 63.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.898 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 57.3 ttp -81.91 -21.17 37.51 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.27 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.7 p -99.79 99.92 10.8 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.951 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -101.96 138.82 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.32 153.78 33.83 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 176.472 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.6 29.77 6.46 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.256 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.537 ' HG3' ' H ' ' A' ' 62' ' ' LEU . 24.1 tptm -79.92 137.42 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.4 t -75.52 9.9 1.96 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.537 ' H ' ' HG3' ' A' ' 60' ' ' LYS . 3.3 tt -91.5 99.91 12.76 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.573 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 46.4 mtt -128.84 149.79 50.6 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.9 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.9 mtt -129.86 118.83 22.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.483 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' HE2' ' HG2' ' A' ' 134' ' ' GLU . 97.8 m-85 -90.0 101.99 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.533 HG13 HG22 ' A' ' 131' ' ' VAL . 25.0 t -94.23 101.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.421 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.464 ' HB ' ' HG3' ' A' ' 130' ' ' GLU . 36.8 m -82.92 110.04 17.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 109.923 177.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 80' ' ' ILE . 45.3 t -102.03 -54.34 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.622 -172.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.675 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 52.8 p -79.69 -59.75 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.328 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.15 3.25 89.59 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 44.8 p30 -127.42 169.19 12.84 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.898 0.479 . . . . 0.0 109.774 177.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.01 -18.58 62.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.846 2.364 . . . . 0.0 112.571 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.43 HG23 ' HD3' ' A' ' 75' ' ' LYS . 32.5 m -62.77 95.23 0.07 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.458 0.647 . . . . 0.0 111.038 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.13 -15.75 62.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 3.5 mptp? -59.93 -39.52 85.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.453 -175.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 18.5 mm-40 -63.52 -55.04 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 t -63.52 -39.0 93.29 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.552 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -60.81 -52.74 63.79 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.294 0.568 . . . . 0.0 110.709 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 6.5 mm-40 -62.35 -49.13 76.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.304 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.518 HG21 HG11 ' A' ' 68' ' ' VAL . 9.9 tp -66.05 -37.23 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.831 -176.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 78.7 m -66.2 -41.71 89.81 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 p -63.97 -41.48 97.53 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.737 0.304 . . . . 0.0 110.579 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt -59.25 -47.04 86.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 110.534 175.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.456 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.6 m0 -63.77 -41.49 97.95 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.13 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 81' ' ' THR . 52.8 mt-30 -54.93 -47.99 73.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 109.989 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.12 -49.8 72.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.063 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.0 m -63.78 -46.52 84.86 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.459 HD13 HG21 ' A' ' 95' ' ' VAL . 95.3 mt -62.25 -49.7 74.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 -175.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -73.38 -19.88 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -72.67 -40.66 66.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.861 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.48 -2.99 55.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.125 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 62.99 82.55 0.18 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -118.88 154.76 32.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.014 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.492 ' HB3' ' HE ' ' A' ' 110' ' ' ARG . 20.0 m-20 -95.94 78.79 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.323 0.582 . . . . 0.0 109.624 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 88' ' ' LEU . 26.8 m -125.71 146.95 30.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.602 -173.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.543 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 52.0 mt-30 -113.45 158.99 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 170.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.572 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.6 138.02 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.622 0.248 . . . . 0.0 110.983 -173.38 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -141.52 132.51 26.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.975 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.8 tt -99.15 108.62 22.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.408 0.623 . . . . 0.0 110.486 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.26 129.77 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.528 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.73 102.33 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -172.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.5 m -48.36 -24.39 1.21 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.69 -38.63 89.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.964 0.411 . . . . 0.0 111.757 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.478 ' HD3' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -136.57 178.71 6.86 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.677 0.751 . . . . 0.0 112.584 -168.104 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.36 145.75 32.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.029 171.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.8 tt -111.16 133.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.27 143.39 40.52 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.403 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.543 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 64.2 mtt -125.0 121.3 34.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.515 ' O ' ' HB3' ' A' ' 60' ' ' LYS . 66.3 mt -90.33 145.62 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.492 ' HE ' ' HB3' ' A' ' 94' ' ' ASP . 27.6 mtm105 -95.43 5.53 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 109.918 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.21 -166.64 1.91 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.404 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.13 29.12 1.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.689 -0.565 . . . . 0.0 111.689 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 m -101.2 -68.69 0.8 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -84.92 22.12 1.45 Allowed 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.193 -0.317 . . . . 0.0 111.386 -173.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.27 68.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.617 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -27.74 63.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.288 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.26 -44.7 58.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.568 0.223 . . . . 0.0 110.425 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.562 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.7 tt -68.64 -39.49 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.512 ' HE2' ' HB ' ' A' ' 131' ' ' VAL . 10.0 tmtt? -56.72 -47.29 80.29 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.506 ' HA ' HG12 ' A' ' 123' ' ' VAL . 15.9 t70 -61.76 -45.38 94.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.173 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -55.54 -40.32 71.72 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.804 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 89.3 mt -71.27 -44.86 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.134 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 120' ' ' ASP . 14.6 p -73.94 -24.47 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.8 m -68.7 -4.28 15.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.408 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.577 ' HG3' ' H ' ' A' ' 127' ' ' ARG . 7.7 tp-100 -59.29 135.54 57.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.051 174.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.92 -29.74 56.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.692 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.577 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 10.4 mpt_? -73.22 -4.72 34.79 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.73 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 42.0 t 58.7 36.69 25.06 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.118 0.485 . . . . 0.0 110.694 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.43 130.98 48.7 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.464 ' HG3' ' HB ' ' A' ' 67' ' ' THR . 10.8 pt-20 -81.07 118.8 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.533 HG22 HG13 ' A' ' 66' ' ' VAL . 46.8 t -101.5 103.45 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.049 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.0 m -97.64 136.97 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.72 154.08 21.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.584 0.231 . . . . 0.0 110.469 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 63' ' ' MET . 0.4 OUTLIER -69.79 87.38 0.52 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.15 173.65 49.82 Favored Glycine 0 C--O 1.237 0.289 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.323 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.02 76.83 0.49 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.18 0.514 . . . . 0.0 109.87 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 43.5 ttp -84.37 -44.0 14.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.708 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.736 ' HB2' ' HD3' ' A' ' 139' ' ' PRO . 83.7 m-85 -138.67 -60.39 0.02 OUTLIER Pre-proline 0 N--CA 1.47 0.56 0 CA-C-O 119.43 -0.319 . . . . 0.0 111.676 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.736 ' HD3' ' HB2' ' A' ' 138' ' ' TYR . 81.6 Cg_endo -94.08 9.82 2.06 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.545 2.163 . . . . 0.0 113.227 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.85 -176.92 36.7 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.035 -175.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.416 178.453 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -77.46 64.15 2.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 110.282 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 pt -75.06 -25.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.404 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -57.44 -49.97 74.55 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.961 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.27 -40.67 91.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.607 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 15.0 t80 -60.19 -49.98 75.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 11' ' ' MET . 49.7 m-80 -64.19 -51.47 63.59 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.665 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 22.7 t70 -52.48 -71.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.414 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.6 -70.86 0.07 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.73 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.4 m-20 -61.5 -65.37 0.7 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.359 -173.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.1 mmt -68.18 -42.7 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.256 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -73.48 -45.03 56.48 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.758 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -68.71 -23.17 64.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.933 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 57.6 mt -71.99 -48.6 43.68 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.13 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.17 -7.52 58.98 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 52.7 mm-40 -48.62 -41.92 32.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 111.236 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -61.62 -38.0 86.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.989 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -70.74 -43.32 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.719 -176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.26 -34.79 76.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.396 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.4 tttt -65.07 -48.72 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.2 -40.45 96.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.203 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.32 -38.84 84.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.986 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.61 -33.35 72.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.902 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 20' ' ' LYS . 79.8 mt -72.03 -38.3 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.515 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.91 -66.84 0.79 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.047 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -109.98 135.23 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.837 -176.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.44 39.39 5.98 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.873 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.28 162.48 26.49 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD12 ' HD2' ' A' ' 30' ' ' PRO . 35.1 tp -108.1 110.21 62.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.447 ' HD2' HD12 ' A' ' 29' ' ' LEU . 56.8 Cg_endo -69.31 73.64 1.14 Allowed 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.679 2.252 . . . . 0.0 112.836 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -76.79 -40.26 48.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -124.01 118.45 27.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.17 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -97.28 155.79 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.32 0.581 . . . . 0.0 111.732 -174.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.78 100.63 49.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.84 -60.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.435 2.09 . . . . 0.0 113.614 -172.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 m -86.12 109.7 19.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.912 0.387 . . . . 0.0 111.2 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.2 -50.72 1.13 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.624 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.03 44.63 1.51 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.478 2.118 . . . . 0.0 113.035 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.2 pt -54.37 -33.39 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.592 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' O ' HD13 ' A' ' 44' ' ' LEU . 33.1 t70 -54.31 -52.06 62.69 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.604 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.49 -31.55 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.944 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 m -73.89 -33.45 64.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -82.26 -44.02 16.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 40' ' ' ASP . 9.8 mp -69.21 -40.24 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.076 176.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.6 t70 50.97 72.37 1.25 Allowed Pre-proline 0 N--CA 1.467 0.397 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.113 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -91.74 -7.54 3.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.754 2.303 . . . . 0.0 112.879 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.15 -67.03 1.82 Allowed Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.66 114.8 65.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.436 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.6 Cg_exo -56.49 -18.68 26.3 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.97 2.447 . . . . 0.0 112.639 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -76.82 -27.4 55.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.93 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -57.65 -44.43 85.64 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 49' ' ' PRO . 33.3 pt -62.07 -35.81 70.68 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.311 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.84 -36.86 78.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.593 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -70.08 -35.07 73.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.275 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -90.72 -20.66 22.19 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.8 m -99.12 99.9 10.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.445 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -145.33 156.15 43.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -87.61 160.37 18.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.409 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.37 36.49 2.46 Favored Glycine 0 C--O 1.234 0.152 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.709 ' HZ2' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -141.03 98.73 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.143 0.497 . . . . 0.0 110.261 -178.616 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -109.76 30.84 6.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.855 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.565 HD22 HD23 ' A' ' 109' ' ' LEU . 2.1 tt -78.56 99.38 6.49 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -173.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.3 mtm -127.18 138.53 53.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.245 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 131' ' ' VAL . 62.7 mtt -119.77 116.97 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.669 0.271 . . . . 0.0 110.858 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.66 98.64 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.506 HG21 HD13 ' A' ' 122' ' ' LEU . 13.4 t -89.92 106.32 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.018 -174.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.9 m -75.97 102.59 5.67 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.592 HG11 HG21 ' A' ' 80' ' ' ILE . 21.5 t -102.0 -62.34 2.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.058 0.456 . . . . 0.0 112.006 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -92.33 -55.18 3.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.127 -169.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.578 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 65.52 30.49 77.62 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.481 -173.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -116.97 165.47 15.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 122.736 0.414 . . . . 0.0 111.01 -171.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.7 -44.24 3.14 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.543 2.162 . . . . 0.0 112.242 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.612 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 7.0 p -73.83 91.4 1.95 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.415 0.626 . . . . 0.0 111.458 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.722 ' HG2' ' HB3' ' A' ' 102' ' ' SER . 32.7 mt-10 -55.49 -25.92 39.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.612 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.7 ptmm? -44.1 -46.88 8.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.479 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 42.7 mt-10 -65.03 -39.45 93.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.949 -173.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.6 m -65.47 -45.7 82.66 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.79 -52.45 65.0 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.254 0.549 . . . . 0.0 110.466 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 41.8 mt-10 -62.96 -47.68 82.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.435 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.592 HG21 HG11 ' A' ' 68' ' ' VAL . 9.8 tp -62.06 -38.62 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.6 m -63.83 -34.55 78.17 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.839 0.352 . . . . 0.0 110.421 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m -66.47 -41.34 89.16 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.544 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.01 -48.78 80.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.523 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 27.7 m0 -60.87 -42.88 98.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.651 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HG3' ' HD2' ' A' ' 97' ' ' ARG . 29.3 tt0 -52.59 -55.67 20.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.37 -53.92 42.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.104 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.9 m -54.99 -46.74 75.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.07 -43.69 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.26 -25.27 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.041 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.94 -21.26 63.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.075 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 14.83 30.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.491 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.1 m120 67.37 19.78 10.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.872 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -92.06 81.82 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.55 ' HB2' HH11 ' A' ' 110' ' ' ARG . 4.6 m-20 -69.54 77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.176 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -87.61 151.27 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.816 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 89.6 mm-40 -99.8 101.12 12.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.6 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -116.25 131.44 56.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.978 -170.034 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -138.44 159.04 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.365 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -101.9 89.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.666 0.746 . . . . 0.0 110.443 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 100' ' ' VAL . 24.3 m -115.16 112.44 39.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.001 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.78 103.95 2.65 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -169.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.722 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 16.3 m -48.71 -23.8 1.17 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.578 ' HB2' ' HA2' ' A' ' 70' ' ' GLY . 8.7 p-10 -100.41 -17.87 17.0 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -176.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.62 140.87 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.191 0.52 . . . . 0.0 111.932 -171.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.16 171.57 7.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.572 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 10.2 tt -126.63 131.36 71.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.751 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -122.0 109.87 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.465 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.5 ttp -93.41 129.61 39.5 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.565 HD23 HD22 ' A' ' 62' ' ' LEU . 4.0 mm? -94.31 153.12 18.17 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.197 0.522 . . . . 0.0 111.572 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.55 HH11 ' HB2' ' A' ' 94' ' ' ASP . 46.5 mtm180 -79.55 -52.75 7.61 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -105.63 -167.14 1.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.723 -174.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -138.23 21.7 3.11 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.288 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -87.07 -68.31 0.76 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.761 0.315 . . . . 0.0 110.713 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -89.78 12.52 16.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.716 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.21 -38.86 54.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.825 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.457 ' O ' ' HB3' ' A' ' 119' ' ' LYS . 8.1 m95 -69.57 -36.05 75.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.481 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.71 -37.99 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.482 HD13 HD11 ' A' ' 109' ' ' LEU . 15.0 tt -68.87 -34.65 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 116' ' ' TRP . 22.0 ttpp -53.74 -53.12 56.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.832 170.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.604 ' HA ' HG12 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -58.89 -45.06 91.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.929 178.221 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -51.79 -46.11 64.07 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.058 0.456 . . . . 0.0 110.673 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.506 HD13 HG21 ' A' ' 66' ' ' VAL . 74.7 mt -65.29 -49.79 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.219 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 120' ' ' ASP . 7.7 p -74.08 -15.79 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.448 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 72.1 m -64.92 -10.84 31.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.219 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.523 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 13.0 mm-40 -54.19 140.54 32.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.67 -36.13 75.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -81.15 6.68 13.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.317 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.1 m 59.77 81.41 0.17 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.616 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.07 97.19 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.105 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.36 129.02 34.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.05 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 64' ' ' MET . 5.3 p -117.52 128.69 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.09 -171.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.7 m -94.19 105.4 17.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.341 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 pp -93.21 152.19 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 111.612 -176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -121.03 142.57 49.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.513 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 166.69 148.62 5.65 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -80.38 -19.96 45.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.161 0.505 . . . . 0.0 109.871 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 52.3 ttp -87.17 102.77 14.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.112 177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -110.17 125.16 31.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.73 96.21 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.45 2.1 . . . . 0.0 112.415 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 107.29 129.9 6.27 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.33 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.135 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.963 -0.455 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 55.11 34.38 22.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.772 0.429 . . . . 0.0 111.131 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 pt -61.19 -31.5 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.869 -174.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -63.19 -41.74 99.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.041 0.448 . . . . 0.0 110.011 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.15 -44.85 78.74 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.319 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -59.58 -47.5 85.32 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.782 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.491 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.0 m-20 -61.48 -52.05 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.92 -65.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -56.45 19.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.115 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.02 -45.88 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.657 -172.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 27.0 mmt -64.6 -38.29 90.51 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.854 178.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.84 -47.21 83.34 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -55.44 -42.64 74.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.321 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.35 -43.2 98.38 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.602 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 11' ' ' MET . 10.9 mp -74.46 -18.88 60.57 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.671 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 58.5 mt-10 -58.17 -25.93 62.11 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -60.28 -50.74 72.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.341 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -68.04 -41.64 81.79 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.632 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.25 -53.79 38.95 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.038 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -58.73 -41.14 85.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.263 -179.139 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.38 -49.7 76.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.277 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.84 -31.75 68.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.883 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.87 -45.26 28.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.948 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.625 HG12 ' O ' ' A' ' 20' ' ' LYS . 23.4 pt -76.67 -30.5 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.462 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.21 -23.14 20.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.158 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 63.86 97.63 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.858 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.16 87.76 1.0 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.692 -0.685 . . . . 0.0 113.04 173.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.83 101.87 8.77 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.991 0.424 . . . . 0.0 109.979 173.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 9.9 mp -94.52 138.75 22.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.78 176.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 22.5 Cg_exo -65.41 150.64 86.81 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.438 2.092 . . . . 0.0 111.716 177.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -69.8 -23.12 63.28 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.696 0.76 . . . . 0.0 109.786 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -96.2 129.13 43.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.6 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -69.84 126.5 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.755 -176.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.486 ' O ' ' HD2' ' A' ' 34' ' ' ARG . 3.2 ppt_? -76.89 143.02 70.22 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.173 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -62.27 -56.52 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.555 2.17 . . . . 0.0 111.808 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.5 p -130.47 144.44 51.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.167 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.555 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -76.08 -48.81 3.4 Favored Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 123.299 0.375 . . . . 0.0 111.648 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 82.3 Cg_endo -93.4 83.95 0.18 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.397 2.065 . . . . 0.0 112.104 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 39' ' ' ILE . 2.9 mp -62.76 -47.94 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.413 -177.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.32 -62.82 1.39 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.423 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.39 -38.21 88.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.489 -175.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 t -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.243 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -84.74 -43.33 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.326 . . . . 0.0 110.855 -174.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.48 -35.72 34.41 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.292 -178.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t70 60.52 90.97 0.08 OUTLIER Pre-proline 0 C--O 1.236 0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.096 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.5 156.43 64.05 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.589 2.193 . . . . 0.0 112.118 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.06 -0.91 10.77 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.348 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 59.7 mttp -79.47 108.6 9.11 Favored Pre-proline 0 CA--C 1.536 0.442 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 37.6 Cg_endo -108.24 40.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 124.027 3.151 . . . . 0.0 114.433 -172.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.57 79.55 0.58 Allowed 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.158 0.504 . . . . 0.0 109.952 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.551 ' O ' ' HG3' ' A' ' 55' ' ' MET . 38.2 t -52.62 -54.3 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.882 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.8 pp -62.16 -35.97 71.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.681 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 52' ' ' ILE . 60.2 mt -70.54 -28.14 64.7 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.65 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -84.0 -46.46 12.01 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -106.99 -18.17 13.98 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -169.31 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 52' ' ' ILE . 29.1 m -87.23 106.47 17.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.356 0.526 . . . . 0.0 110.63 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HB3' ' HD3' ' A' ' 60' ' ' LYS . 85.2 tttt -89.59 146.24 24.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.01 143.38 57.99 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.363 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' HD3' ' A' ' 110' ' ' ARG . . . 84.5 26.15 40.26 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.119 -0.563 . . . . 0.0 112.256 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.636 ' HE3' ' SD ' ' A' ' 108' ' ' MET . 59.0 mtpt -135.65 99.69 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.1 t -99.27 -30.32 12.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.675 0.274 . . . . 0.0 110.472 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -150.94 153.16 34.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.741 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -138.59 129.26 26.35 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.634 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 61.9 mtt -118.28 143.18 46.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.456 -176.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 124.51 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.745 HG21 HD13 ' A' ' 122' ' ' LEU . 43.3 t -116.3 113.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.081 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -77.08 108.45 10.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HB ' HG21 ' A' ' 80' ' ' ILE . 30.2 m -100.89 -45.74 11.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.157 -168.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 71' ' ' ASN . 55.9 p -92.02 -61.83 1.54 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.17 0.509 . . . . 0.0 110.477 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.73 -10.31 75.14 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -173.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 14.4 p-10 -127.08 158.16 69.84 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 123.375 0.67 . . . . 0.0 109.617 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.39 -18.96 67.01 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.25 2.633 . . . . 0.0 113.616 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.427 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 69.8 p -48.55 125.82 10.52 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.511 0.324 . . . . 0.0 111.686 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 19.8 mp0 -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.146 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -63.03 -59.52 4.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.329 -172.077 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 9.0 mm-40 -51.21 -55.39 18.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.067 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -64.27 -37.48 87.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.969 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.6 -55.99 27.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.557 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.69 -46.33 88.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.339 -174.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.579 HG21 ' HB ' ' A' ' 68' ' ' VAL . 11.0 tp -71.67 -42.01 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.317 -176.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 m -68.78 -34.38 75.45 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.747 0.308 . . . . 0.0 110.412 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.1 t -67.77 -39.99 84.06 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.74 -53.39 58.35 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.466 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.498 ' CZ2' ' HG3' ' A' ' 125' ' ' GLN . 26.6 m0 -65.09 -38.76 91.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -54.91 -39.93 69.3 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.21 -49.28 5.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.04 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 t -54.94 -49.79 70.47 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.822 0.449 . . . . 0.0 111.862 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.608 HD13 HG21 ' A' ' 95' ' ' VAL . 97.2 mt -61.59 -32.88 73.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.882 0.373 . . . . 0.0 110.864 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -88.72 -9.69 51.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -80.83 -44.72 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.57 -12.04 59.99 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.323 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.83 78.47 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.482 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -124.68 130.59 52.7 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.9 91.08 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.343 0.592 . . . . 0.0 110.245 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.608 HG21 HD13 ' A' ' 88' ' ' LEU . 36.0 m -136.94 153.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.358 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.654 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 14.9 mm100 -101.51 110.08 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.8 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -111.8 121.29 44.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -177.118 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 98.4 m-85 -136.03 142.25 44.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.461 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 tt -96.22 90.78 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.464 0.649 . . . . 0.0 110.196 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.27 128.74 76.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.587 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.44 101.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.1 p -55.03 -15.62 2.22 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -171.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.92 -29.04 62.82 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.213 0.53 . . . . 0.0 110.822 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.537 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -142.11 -175.54 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.253 0.549 . . . . 0.0 111.816 -170.438 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.54 152.21 45.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.09 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.41 137.48 45.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.97 0.414 . . . . 0.0 111.007 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -127.76 106.91 9.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.335 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.654 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 68.3 mtm -95.64 114.94 26.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.6 mt -78.48 129.52 34.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.348 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 59' ' ' GLY . 21.8 mmt180 -74.48 -44.59 50.78 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 170.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -116.28 131.57 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.373 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.41 3.94 69.44 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.464 -173.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -73.62 -28.28 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.16 0.48 . . . . 0.0 110.587 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -95.05 16.18 16.97 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.579 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' HG22 ' A' ' 118' ' ' ILE . . . -56.65 -59.26 5.26 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -173.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.02 -36.25 81.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -176.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -62.41 -45.15 94.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 15.0 tt -69.84 -35.31 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.166 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -52.98 -54.65 31.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.951 0.405 . . . . 0.0 110.157 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.577 ' HA ' HG12 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -60.25 -44.43 95.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.796 178.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -54.0 -40.64 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 0.0 110.86 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.745 HD13 HG21 ' A' ' 66' ' ' VAL . 80.6 mt -74.97 -44.09 50.31 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.17 -178.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 120' ' ' ASP . 7.1 p -79.12 -13.96 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.306 . . . . 0.0 111.762 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.9 m -74.6 -4.51 37.55 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 122.245 -0.284 . . . . 0.0 111.345 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.498 ' HG3' ' CZ2' ' A' ' 84' ' ' TRP . 17.7 mm-40 -69.4 143.5 53.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.86 -22.11 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.75 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -55.79 -23.81 32.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.827 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.1 t 60.12 43.16 14.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.695 0.76 . . . . 0.0 109.177 -173.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.83 135.86 48.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.846 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 6.7 mm-40 -81.2 112.65 18.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.08 118.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.186 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.9 p -132.17 148.39 52.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.768 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.634 ' HG ' ' HG2' ' A' ' 64' ' ' MET . 5.4 mp -100.75 132.32 46.21 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.37 118.64 30.87 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 159.08 -162.55 32.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -80.79 -23.26 39.41 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.571 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.3 OUTLIER -104.37 124.4 49.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.639 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.509 ' HD1' ' HB2' ' A' ' 133' ' ' LEU . 54.5 t80 -154.2 135.5 8.83 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.251 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.501 ' HD2' ' CD1' ' A' ' 138' ' ' TYR . 19.1 Cg_endo -58.0 140.86 95.44 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.93 2.42 . . . . 0.0 112.409 178.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 145.12 107.9 0.57 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.206 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.627 175.811 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.091 -0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 -53.1 61.7 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.242 0.544 . . . . 0.0 110.203 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -88.36 48.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.797 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 4' ' ' ARG . 3.4 tmt_? -50.74 -43.97 58.3 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.955 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -59.69 -47.02 87.28 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -64.12 -46.1 85.68 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.144 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 11' ' ' MET . 95.3 m-20 -53.99 -65.23 0.61 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.196 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.646 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -50.42 -67.58 0.24 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.659 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.72 -70.43 0.09 Allowed 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.116 0.484 . . . . 0.0 111.155 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' O ' HD13 ' A' ' 14' ' ' LEU . 26.8 t70 -70.12 -58.02 4.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.143 -172.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.52 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 tpp -66.06 -35.94 81.89 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.919 -170.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -74.52 -33.02 62.69 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.556 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -61.95 -44.22 97.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.814 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 10' ' ' ASP . 11.2 mp -64.31 -52.86 56.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.2 mt -78.44 -6.05 54.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.812 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -52.6 -30.11 29.5 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -56.06 -43.26 77.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -78.42 -42.22 30.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.837 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.21 -53.32 59.14 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.269 0.557 . . . . 0.0 109.584 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 24' ' ' ILE . 24.3 ttmm -56.51 -43.72 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.215 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 27.8 t70 -51.63 -54.63 25.75 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.693 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.97 -37.96 84.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -69.33 -21.1 63.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.148 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.3 mt -86.92 -37.53 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.0 109.917 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 20.8 mm-40 -61.96 -30.52 70.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.41 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.683 ' HG2' ' H ' ' A' ' 28' ' ' ASP . 41.6 tt0 -155.34 -95.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.564 173.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.69 17.83 36.01 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.176 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.683 ' H ' ' HG2' ' A' ' 26' ' ' GLU . 17.1 m-20 -94.06 151.86 19.21 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.53 0.332 . . . . 0.0 111.123 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mp -93.53 145.23 29.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.322 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.82 6.84 1.49 Allowed 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 122.713 2.276 . . . . 0.0 113.099 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.34 -17.46 49.06 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -178.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -118.48 137.64 53.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.094 0.473 . . . . 0.0 111.088 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -113.14 -179.75 3.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.297 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -70.98 148.74 94.65 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.45 -20.43 68.43 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.937 2.425 . . . . 0.0 112.84 -176.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 m -130.12 107.97 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 -50.92 0.28 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 64.9 Cg_exo -51.58 102.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.496 2.13 . . . . 0.0 112.8 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.02 -47.32 93.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.747 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HD13 ' A' ' 44' ' ' LEU . 8.9 p-10 -58.92 -45.13 91.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 56.7 m-85 -59.88 -47.03 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.454 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.8 t -61.92 -28.88 69.84 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -84.39 -28.42 26.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 40' ' ' ASP . 10.8 mp -93.51 -8.25 41.97 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.501 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.451 ' O ' ' HE2' ' A' ' 48' ' ' LYS . 61.1 m-20 63.9 91.78 0.07 OUTLIER Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 122.968 0.507 . . . . 0.0 111.518 177.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -94.64 -175.02 0.37 Allowed 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 123.254 2.636 . . . . 0.0 112.197 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.61 5.64 60.04 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.398 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 45' ' ' ASP . 4.2 mptp? -70.33 128.85 90.99 Favored Pre-proline 0 N--CA 1.464 0.26 0 CA-C-N 116.971 0.386 . . . . 0.0 110.053 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.475 ' O ' HG13 ' A' ' 52' ' ' ILE . 47.5 Cg_exo -57.86 -5.14 1.74 Allowed 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.341 2.694 . . . . 0.0 113.77 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -73.11 -25.88 61.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.2 p -53.47 -54.9 30.44 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.861 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 49' ' ' PRO . 2.8 pp -62.58 -31.37 51.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.166 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 53' ' ' LEU . 4.6 tt -67.69 -40.19 84.38 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HB2' ' NZ ' ' A' ' 54' ' ' LYS . 4.5 ttmp? -75.38 -28.52 59.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.672 177.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 55.0 ttp -86.92 -21.64 26.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.886 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -78.48 136.78 37.68 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -150.41 156.34 41.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.654 -173.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.598 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -69.83 161.31 30.13 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.607 -179.45 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.59 66.77 0.59 Allowed Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -175.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.09 116.8 23.67 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 m -129.73 30.19 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.566 0.698 . . . . 0.0 109.715 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.4 HD11 HD12 ' A' ' 109' ' ' LEU . 4.3 pp -79.55 152.08 30.33 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.694 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.627 ' SD ' ' N ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -133.52 145.09 49.82 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.563 0.697 . . . . 0.0 112.147 -171.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.482 ' HG2' HD23 ' A' ' 133' ' ' LEU . 63.0 mtt -117.25 124.73 49.77 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.183 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 106' ' ' ILE . 75.8 m-85 -87.09 114.1 23.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 66' ' ' VAL . 29.8 m -111.42 107.54 23.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.191 0.52 . . . . 0.0 111.322 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 27.1 m -77.09 106.91 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.691 HG11 HG21 ' A' ' 80' ' ' ILE . 24.5 t -102.95 -60.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.277 0.561 . . . . 0.0 111.454 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.589 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . 19.3 m -75.25 -57.28 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 -171.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.36 64.02 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.884 -174.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.589 ' ND2' ' HB3' ' A' ' 69' ' ' SER . 9.1 p30 -109.98 160.83 26.67 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.875 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 81.6 Cg_endo -78.3 -24.17 8.15 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.593 2.195 . . . . 0.0 112.95 -177.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.423 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 15.7 p -65.76 100.31 0.53 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.385 0.612 . . . . 0.0 110.482 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 77' ' ' THR . 42.9 tt0 -63.12 -26.1 68.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.6 -172.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.4 ptmt -42.91 -34.4 0.96 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.822 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.37 -52.59 25.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.514 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.3 t -64.41 -32.1 73.58 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.123 -178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.57 -52.32 66.06 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 83' ' ' LEU . 75.5 mm-40 -53.06 -62.46 1.64 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.161 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.691 HG21 HG11 ' A' ' 68' ' ' VAL . 10.3 tp -59.74 -38.44 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.685 -172.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.5 m -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -63.53 -47.71 80.51 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.671 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.9 mp -60.89 -42.13 97.4 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.451 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 6.5 m0 -62.82 -57.18 11.77 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.71 -37.07 70.43 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.373 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.84 -32.77 78.33 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.358 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.443 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 23.3 t -86.59 -21.44 26.83 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.156 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 95.7 mt -89.54 -47.98 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.585 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.41 -23.19 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -175.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 32.8 p30 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.299 0.571 . . . . 0.0 109.818 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.07 9.63 38.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.115 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 72.58 19.15 4.19 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.663 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.405 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . 9.0 m-30 -78.15 95.58 4.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.447 177.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.34 89.57 5.55 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.357 0.599 . . . . 0.0 109.961 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.1 144.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.904 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -101.36 120.1 39.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 -177.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.704 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -118.27 131.34 56.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.966 -174.61 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -126.65 142.58 51.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.409 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 tt -95.35 99.66 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.508 0.671 . . . . 0.0 110.633 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 100' ' ' VAL . 17.1 m -128.62 111.27 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.358 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.69 103.99 1.86 Allowed Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.006 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.7 m -53.95 -13.85 0.87 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.499 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 8.2 p-10 -99.24 -3.53 34.02 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.811 0.338 . . . . 0.0 111.343 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' HB3' ' HA ' ' A' ' 67' ' ' THR . 17.5 ptp180 -151.21 178.28 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.305 0.574 . . . . 0.0 111.968 -170.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.17 162.51 36.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.807 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.419 HD12 ' CE2' ' A' ' 65' ' ' PHE . 14.7 tt -123.33 127.57 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 178.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -112.21 106.66 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.094 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -78.34 122.26 25.53 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 168.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.4 HD12 HD11 ' A' ' 62' ' ' LEU . 54.5 mt -95.63 103.4 15.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.8 -39.64 56.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.952 -173.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -108.35 111.58 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.186 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.81 -3.79 90.42 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.691 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.4 m -54.17 -25.54 23.07 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.677 0.275 . . . . 0.0 111.129 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -130.91 28.69 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.829 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.11 -57.71 11.03 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.401 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -67.52 -26.55 66.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.088 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.43 -47.34 70.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.733 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.8 tt -70.87 -30.12 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 123' ' ' VAL . 1.1 tmmt? -60.17 -46.53 89.38 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.646 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -63.32 -38.14 89.98 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.117 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.65 -42.05 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.92 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -42.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 119' ' ' LYS . 84.3 t -67.41 -31.59 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 110.493 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -74.24 -22.67 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.499 ' NE2' HD11 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -63.78 126.72 28.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.106 0.479 . . . . 0.0 110.738 -177.584 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.63 -25.8 63.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.513 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.563 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 4.2 mmp_? -100.33 19.41 16.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.254 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 54.1 t -92.51 122.14 34.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.804 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' THR . . . -94.53 -55.46 3.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 111.044 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.54 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 37.6 mt-10 -140.6 138.09 34.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.615 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.91 125.87 67.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.4 m -128.29 109.95 11.94 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.221 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 64' ' ' MET . 3.3 tm? -86.55 116.21 24.53 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -86.14 93.82 9.12 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.764 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 151.98 142.66 3.54 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.012 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -107.6 18.97 20.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.527 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.596 ' HG2' ' HD1' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -77.47 -16.42 58.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.557 179.451 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.596 ' HD1' ' HG2' ' A' ' 137' ' ' MET . 16.0 m-85 -120.43 -56.82 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.452 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.495 ' HD2' ' H ' ' A' ' 138' ' ' TYR . 86.3 Cg_endo -84.6 172.01 9.38 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.969 1.779 . . . . 0.0 112.273 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 96.81 -146.45 18.29 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.249 -0.5 . . . . 0.0 111.908 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.108 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.828 -0.509 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.86 -23.48 66.3 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.99 0.424 . . . . 0.0 111.227 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 tt -60.87 -15.91 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.417 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -52.88 -26.76 15.8 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.645 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -51.67 -51.87 52.45 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.356 -176.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.31 -35.34 58.87 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.896 -177.552 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 11' ' ' MET . 42.5 m-80 -54.84 -60.99 2.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.09 -62.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.671 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.54 -63.28 1.22 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.879 0.371 . . . . 0.0 111.847 -174.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 1.8 m-20 -66.54 -52.78 41.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.873 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.454 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 46.1 ttm -65.05 -32.06 73.59 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.782 -172.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.36 67.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.838 0.351 . . . . 0.0 110.155 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' C ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.18 -34.26 66.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.196 179.401 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.01 -38.52 16.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.613 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -121.59 35.87 4.77 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -8.64 1.68 Allowed 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.379 -0.201 . . . . 0.0 111.38 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -34.49 43.75 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 176.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -77.26 -42.96 35.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.481 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.51 -37.47 77.17 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.281 0.563 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.37 -47.47 79.15 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.733 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.18 -53.19 60.9 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.43 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -57.83 -47.5 82.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.43 -47.12 76.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 111.11 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -75.53 -53.19 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.529 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.22 -48.28 76.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.688 -174.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -69.57 -41.07 76.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.264 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.61 23.65 72.26 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.799 -178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -106.2 124.74 50.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.98 157.19 35.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.261 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.11 129.21 30.04 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.631 2.221 . . . . 0.0 112.177 176.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -18.78 60.46 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.194 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -76.23 166.16 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.278 173.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.796 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -75.3 126.99 32.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.123 -173.508 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 104.95 2.51 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.16 -57.01 1.46 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.225 2.617 . . . . 0.0 113.878 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -120.27 115.65 24.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 -175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.16 -50.59 0.54 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.34 28.64 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 122.456 2.104 . . . . 0.0 113.37 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.1 pt -62.19 -28.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.752 0.311 . . . . 0.0 110.729 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -68.16 -45.18 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.05 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -62.17 -34.27 76.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 0.0 109.809 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -73.26 -30.67 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.264 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.55 -47.3 76.33 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.616 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.56 -45.6 75.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 t70 61.17 92.31 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.399 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.229 -176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -41.08 -37.73 2.8 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.593 2.862 . . . . 0.0 113.74 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.16 -41.57 2.64 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.241 -0.504 . . . . 0.0 112.598 178.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -73.31 139.87 79.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -67.78 169.29 16.45 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.544 2.162 . . . . 0.0 112.332 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -73.06 67.83 0.91 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.206 0.527 . . . . 0.0 110.72 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.1 t -57.5 -34.89 69.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.277 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.5 pt -61.02 -42.32 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.715 177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.0 tp -68.06 -36.41 79.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.031 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 1.7 tmmm? -65.21 -41.11 94.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.5 ttp -75.97 -21.9 56.46 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.226 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.3 m -101.07 114.2 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.22 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 mttp -88.74 108.61 19.58 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -101.5 162.41 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.86 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.71 -1.64 9.36 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.388 -0.434 . . . . 0.0 112.24 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -78.65 102.56 8.07 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.542 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.1 p -86.62 -23.64 25.64 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -165.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -109.33 101.7 10.67 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -174.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 63' ' ' MET . 1.1 pmm? -107.73 149.91 27.59 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.493 0.663 . . . . 0.0 110.983 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.1 mtt -129.38 153.99 47.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.327 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -113.57 106.85 15.03 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.527 HG13 HG22 ' A' ' 131' ' ' VAL . 28.7 t -88.38 104.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.75 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -76.81 103.6 6.86 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.702 HG11 HG21 ' A' ' 80' ' ' ILE . 24.7 t -101.36 -62.53 2.0 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.568 -172.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.0 p -92.57 -61.5 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.266 -174.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.73 9.21 81.57 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.63 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 1.8 p-10 -126.81 163.24 42.43 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 123.219 0.608 . . . . 0.0 109.663 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.63 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 60.0 Cg_endo -70.19 -26.2 25.81 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.582 2.188 . . . . 0.0 114.015 -168.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.473 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 4.5 p -62.81 90.16 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.37 0.605 . . . . 0.0 111.0 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.45 -21.33 66.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.186 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -54.19 -48.29 71.15 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.5 -178.286 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.33 -45.62 92.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.981 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.8 m -64.01 -39.36 93.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -48.58 74.61 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.098 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.85 -54.39 46.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.855 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.702 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -62.42 -36.96 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.789 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -30.04 68.01 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.693 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.5 m -68.84 -39.21 80.08 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.99 0.424 . . . . 0.0 109.912 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.74 -43.68 95.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.155 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.42 ' HE1' ' NE2' ' A' ' 125' ' ' GLN . 34.6 m0 -64.84 -37.98 89.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.501 176.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.512 ' HG2' HH11 ' A' ' 97' ' ' ARG . 0.6 OUTLIER -54.62 -56.43 19.12 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.6 -55.5 30.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.231 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -55.15 -52.92 61.75 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.423 0.289 . . . . 0.0 111.703 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.11 -47.5 85.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.646 0.26 . . . . 0.0 111.147 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.09 -29.32 69.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 0.0 110.612 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.59 -19.54 60.85 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.063 0.458 . . . . 0.0 109.81 174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.03 13.88 19.45 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.606 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 73.49 16.09 4.07 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.037 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -75.73 121.56 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.723 0.296 . . . . 0.0 110.285 174.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -98.96 38.48 1.38 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.679 0.752 . . . . 0.0 109.481 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 m -87.06 170.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.764 -176.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.628 ' HB3' ' HB2' ' A' ' 108' ' ' MET . 6.7 tp-100 -117.17 153.2 33.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -154.39 143.48 21.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.516 0.198 . . . . 0.0 110.899 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -141.56 150.07 41.61 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 tt -101.08 107.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.047 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 100' ' ' VAL . 4.8 p -145.65 106.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.53 98.79 1.28 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -170.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 m -47.25 -30.48 3.07 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.69 -44.66 85.97 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.884 0.374 . . . . 0.0 111.777 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 ptp85 -134.85 137.61 43.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.145 -167.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.18 130.02 46.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.9 tt -93.43 119.79 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.972 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -111.13 118.23 35.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.384 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.628 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.0 mtt -94.7 106.52 18.5 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.006 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 118' ' ' ILE . 35.9 mt -93.69 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.102 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -63.84 -52.33 60.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.237 0.541 . . . . 0.0 110.453 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -164.13 -174.69 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.623 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.18 44.7 3.21 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.741 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 p -86.04 -70.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.89 23.5 12.76 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.661 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.24 -47.7 71.93 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.641 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -30.0 67.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.558 -178.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.61 -51.93 30.59 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.519 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.9 tt -65.56 -41.16 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HG3' ' HB ' ' A' ' 131' ' ' VAL . 60.8 tttp -56.82 -45.14 82.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.037 176.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.14 -54.1 50.64 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.815 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -51.78 -49.14 63.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.456 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 87.6 mt -65.34 -37.6 87.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.236 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 119' ' ' LYS . 94.8 t -78.04 -22.03 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 110.808 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.7 m -70.36 -0.31 7.95 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.593 ' NE2' HD11 ' A' ' 80' ' ' ILE . 13.4 mm-40 -55.67 139.41 44.85 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.027 0.442 . . . . 0.0 110.701 176.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.64 -34.73 78.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.702 -174.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.64 4.95 19.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.08 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.0 t 70.27 155.51 0.14 Allowed 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.129 0.572 . . . . 0.0 111.344 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -170.85 -173.82 1.43 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.246 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.15 144.94 19.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.867 0.365 . . . . 0.0 110.244 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.555 ' HB ' ' HG3' ' A' ' 119' ' ' LYS . 43.2 t -121.87 110.25 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.871 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.1 p -95.28 147.13 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.2 mt -93.56 141.31 28.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.5 75.52 4.05 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 175.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.27 -144.14 30.4 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.39 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.522 ' HB3' ' SD ' ' A' ' 137' ' ' MET . 2.6 mp0 60.39 -167.14 0.18 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.991 0.424 . . . . 0.0 111.309 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.522 ' SD ' ' HB3' ' A' ' 136' ' ' GLN . 0.0 OUTLIER -66.85 99.99 0.68 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.344 0.592 . . . . 0.0 110.759 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -101.52 138.06 19.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.11 -164.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.675 2.25 . . . . 0.0 112.126 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -65.87 -42.52 94.93 Favored Glycine 0 C--N 1.335 0.474 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 54.6 tttm . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.387 175.637 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.63 113.93 6.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.687 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 4' ' ' ARG . 2.7 pp -83.3 -14.0 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.294 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.431 ' N ' HD12 ' A' ' 3' ' ' ILE . 72.4 ttt180 -64.32 -37.3 87.03 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.554 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -50.02 -49.39 50.99 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.759 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -72.77 -41.0 65.5 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.148 -177.324 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' A' ' 11' ' ' MET . 34.5 m-80 -55.66 -63.36 1.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -47.83 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.166 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 -55.38 33.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.7 t70 -74.11 -45.46 48.9 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.536 -169.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.552 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 ttm -72.18 -38.68 69.04 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.579 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.8 95.48 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.636 -0.425 . . . . 0.0 109.963 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.0 ttp-105 -63.0 -35.52 80.49 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.06 -52.37 36.01 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.7 -10.48 59.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.264 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.37 -46.19 55.82 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.087 0.47 . . . . 0.0 110.204 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.61 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 49.4 mt-30 -59.78 -52.86 63.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -56.77 -41.32 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.25 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.15 -60.23 3.0 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.94 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HE3' ' HA ' ' A' ' 17' ' ' GLN . 22.3 pttp -62.13 -45.16 94.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.11 -41.54 97.22 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.53 -45.37 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.4 -50.08 66.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.293 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.6 mt -61.82 -48.24 89.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.412 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.31 -42.45 79.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.628 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 54.88 99.77 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.121 0.486 . . . . 0.0 112.014 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.4 90.58 1.29 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.492 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -79.48 96.41 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD12 ' HD2' ' A' ' 30' ' ' PRO . 59.7 tp -141.46 111.72 6.46 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.87 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD2' HD12 ' A' ' 29' ' ' LEU . 55.7 Cg_endo -69.85 117.6 5.18 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.35 2.033 . . . . 0.0 112.02 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -78.83 -26.56 44.2 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.274 0.559 . . . . 0.0 110.562 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -118.57 132.87 56.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.034 -175.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.2 tttp -114.48 164.95 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.06 176.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.522 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -75.85 108.58 6.2 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.457 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.32 -32.36 95.88 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.709 2.273 . . . . 0.0 112.812 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -69.43 111.87 5.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -64.66 -51.63 57.28 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.743 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 93.0 Cg_endo -80.1 89.86 1.29 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.861 1.707 . . . . 0.0 111.141 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.02 -28.14 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.361 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.95 -42.99 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' HD1' ' HB2' ' A' ' 38' ' ' PRO . 82.6 m-85 -65.38 -32.38 73.99 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.949 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -76.08 -38.22 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.115 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -67.08 -46.46 74.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.727 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.56 -39.55 27.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t70 55.35 87.26 0.15 Allowed Pre-proline 0 N--CA 1.469 0.48 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.227 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.66 -173.29 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.217 2.611 . . . . 0.0 113.808 -169.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.73 -11.12 41.89 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.156 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 9.8 mptt -101.27 124.01 42.78 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.93 114.71 1.67 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.785 2.323 . . . . 0.0 112.394 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 58.72 29.57 18.81 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.551 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.558 ' HB3' ' HB3' ' A' ' 48' ' ' LYS . 23.0 p -57.97 -39.0 77.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.228 0.537 . . . . 0.0 110.333 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.835 HG13 HD12 ' A' ' 53' ' ' LEU . 19.3 pt -61.49 -39.1 81.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.562 176.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.835 HD12 HG13 ' A' ' 52' ' ' ILE . 8.5 mp -70.23 -26.45 63.86 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.149 0.5 . . . . 0.0 110.057 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -74.02 -33.53 63.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.644 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.416 ' SD ' ' C ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -88.13 -21.35 24.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 121.181 -0.207 . . . . 0.0 111.274 179.663 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 52' ' ' ILE . 22.7 p -70.78 115.78 10.32 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -92.41 133.6 35.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.656 -175.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -75.79 160.1 30.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.642 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.05 56.11 0.96 Allowed Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -171.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -79.61 99.73 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -78.72 30.61 0.19 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 109' ' ' LEU . 1.5 tm? -92.7 101.76 14.17 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 ptp -135.24 154.47 51.56 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.238 0.542 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.57 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 53.6 mtt -128.94 124.5 35.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.173 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -95.01 104.54 16.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.64 HG21 HD13 ' A' ' 122' ' ' LEU . 16.7 t -100.53 108.44 23.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.72 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 t -79.34 101.1 7.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.292 0.568 . . . . 0.0 109.918 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.593 HG11 HG21 ' A' ' 80' ' ' ILE . 22.5 t -103.17 -44.36 9.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.542 -171.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.645 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 33.1 t -75.24 -71.0 0.39 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.37 10.11 40.46 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.752 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 35.1 t30 -125.88 127.79 24.69 Favored Pre-proline 0 C--O 1.234 0.261 0 C-N-CA 123.243 0.617 . . . . 0.0 109.799 -176.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 71' ' ' ASN . 40.8 Cg_exo -58.27 -23.5 62.85 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.85 2.367 . . . . 0.0 112.93 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -84.44 118.24 24.15 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.6 -10.48 35.91 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 15.3 ptmm? -44.8 -44.82 9.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.661 0.267 . . . . 0.0 111.681 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.62 -51.51 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.503 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.3 t -68.19 -33.76 75.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.74 -54.86 24.83 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 35.1 mm-40 -55.61 -53.3 58.13 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.965 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.593 HG21 HG11 ' A' ' 68' ' ' VAL . 9.9 tp -67.75 -42.72 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.674 -172.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 HE21 ' A' ' 85' ' ' GLN . 97.3 m -67.77 -38.19 83.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.397 0.141 . . . . 0.0 110.994 -177.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.4 p -68.54 -49.41 59.76 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.741 0.305 . . . . 0.0 110.499 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.37 -44.78 89.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.485 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 5.6 m0 -61.45 -59.08 5.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.41 HE21 HG22 ' A' ' 81' ' ' THR . 11.0 pt20 -56.71 -36.72 70.0 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 110.626 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.45 -49.79 58.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.576 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 t -57.56 -43.11 84.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.889 0.476 . . . . 0.0 110.968 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 82.5 mt -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.32 -20.14 55.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -69.16 -33.72 73.85 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.1 -2.54 56.93 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.544 174.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 73.73 20.64 2.94 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.312 174.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -87.27 98.33 11.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -68.52 85.36 0.29 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.224 0.535 . . . . 0.0 111.079 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.22 160.03 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.892 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.68 145.23 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' N ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.61 139.75 23.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -137.03 156.56 48.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.1 tt -122.95 90.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.632 0.729 . . . . 0.0 110.391 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 100' ' ' VAL . 16.6 m -113.64 99.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.561 177.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.433 ' HA3' ' NH1' ' A' ' 104' ' ' ARG . . . 98.53 102.16 2.27 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.8 t -49.83 -18.08 0.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.645 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 23.0 t70 -73.29 -43.53 60.8 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.485 ' HD3' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -129.92 140.51 50.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.227 0.537 . . . . 0.0 112.139 -172.087 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.44 137.22 40.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.248 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.71 118.28 54.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -103.92 123.09 46.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.081 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 55.4 ttp -103.23 120.03 39.98 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.502 ' HB2' HD12 ' A' ' 62' ' ' LEU . 2.3 mm? -100.96 132.45 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.622 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -74.92 -28.01 60.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.312 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -121.14 148.9 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.525 -176.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.61 -5.75 33.66 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.718 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.7 t -73.25 -40.4 64.67 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.812 0.306 . . . . 0.0 110.243 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.403 ' O ' HG22 ' A' ' 118' ' ' ILE . 5.2 t80 -83.39 -2.23 55.3 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.05 71.62 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.05 -41.53 67.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.649 0.262 . . . . 0.0 111.14 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -49.46 75.31 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 8.7 tp -67.36 -35.67 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.426 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -54.41 -53.59 52.03 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.07 0.462 . . . . 0.0 110.123 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.57 ' HA ' HG12 ' A' ' 123' ' ' VAL . 2.9 m-20 -64.5 -36.49 84.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.675 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.48 -48.74 79.79 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.64 HD13 HG21 ' A' ' 66' ' ' VAL . 90.5 mt -65.46 -48.92 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.325 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 120' ' ' ASP . 12.3 p -70.36 -24.34 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.724 0.297 . . . . 0.0 111.267 -176.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -75.16 -3.11 30.97 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.096 -178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.502 ' NE2' HD11 ' A' ' 80' ' ' ILE . 6.6 tp-100 -60.56 147.68 40.73 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.364 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.94 -20.89 60.0 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -79.24 -16.42 56.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.438 0.161 . . . . 0.0 111.148 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.2 t 58.57 87.28 0.08 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.209 0.528 . . . . 0.0 110.14 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -110.2 135.96 50.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.844 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.76 118.35 22.8 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.981 0.419 . . . . 0.0 110.097 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.447 HG23 HG22 ' A' ' 66' ' ' VAL . 2.7 p -95.93 97.85 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.495 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.9 m -89.55 99.39 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.972 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.57 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 3.9 pp -90.85 153.78 19.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.99 87.53 0.14 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.952 0.406 . . . . 0.0 110.337 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -96.51 71.03 0.83 Allowed Glycine 0 C--N 1.33 0.203 0 CA-C-N 116.18 -0.463 . . . . 0.0 112.343 -177.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -72.06 -11.49 60.78 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -131.29 -91.82 0.42 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -175.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.567 ' HB3' ' HD3' ' A' ' 139' ' ' PRO . 72.9 t80 -64.98 -58.51 12.55 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -172.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 138' ' ' TYR . 4.7 Cg_exo -80.44 23.77 0.69 Allowed 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.477 2.118 . . . . 0.0 113.358 -170.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -160.36 119.88 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.073 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.741 172.847 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -168.74 159.66 9.96 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 122.894 0.478 . . . . 0.0 109.766 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 3' ' ' ILE . 3.2 mp -96.93 80.31 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -69.3 -30.96 69.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.82 -47.38 42.42 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.349 0.406 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.429 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -57.93 -48.19 80.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.246 175.323 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -60.23 -50.74 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -52.15 -64.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.384 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -55.72 20.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.703 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.53 -47.92 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.622 -173.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.432 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 16.6 mmt -65.87 -45.3 82.62 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.222 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.61 87.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.27 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.708 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 85.2 mtt180 -79.28 -12.24 59.95 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.163 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -71.99 -52.67 15.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.551 ' HA ' ' NE1' ' A' ' 18' ' ' TRP . 10.3 mp -64.06 -53.61 47.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.805 -177.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 10.4 pt-20 -61.28 -21.54 64.02 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 14.4 mm-40 -77.76 -55.74 5.08 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.279 -0.168 . . . . 0.0 111.365 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 15' ' ' LEU . 55.2 p-90 -69.27 -22.31 63.83 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.749 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -66.35 -52.62 45.16 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.655 172.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -54.24 -45.37 72.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 109.998 177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.393 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.71 -18.82 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.764 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.48 -35.39 46.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 109.908 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pp -91.25 -15.32 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.817 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.05 -59.27 2.24 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.361 0.601 . . . . 0.0 109.983 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -99.65 -80.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.941 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.82 59.51 6.07 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.95 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.92 149.58 29.36 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.662 -177.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 29' ' ' LEU . 6.8 mp -92.72 120.79 67.06 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.59 76.98 0.53 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.453 2.102 . . . . 0.0 111.752 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -94.12 -15.8 24.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.701 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -69.85 108.15 3.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.616 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -91.92 -177.9 4.86 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.381 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 40' ' ' ASP . 37.2 ttt85 -95.99 115.36 65.5 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.078 -175.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.86 -36.37 50.85 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.627 2.218 . . . . 0.0 112.566 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.088 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -111.18 -60.3 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.323 175.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 34.7 Cg_exo -60.14 -61.65 0.19 Allowed 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.923 1.748 . . . . 0.0 112.509 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.552 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.0 mp -58.97 -37.02 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 34' ' ' ARG . 14.8 t70 -54.18 -71.27 0.08 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.878 -177.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.458 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 87.3 m-85 -56.15 -45.98 79.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.217 -177.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.8 m -60.04 -32.34 70.82 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -76.87 -39.9 49.43 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 110.213 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.26 -15.36 60.53 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.0 t0 64.05 87.45 0.13 Allowed Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HG3' ' HB3' ' A' ' 41' ' ' PHE . 72.8 Cg_endo -85.84 115.03 1.45 Allowed 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.329 2.686 . . . . 0.0 113.687 -165.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.64 -13.67 6.41 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.757 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 51' ' ' SER . 24.0 tttm -101.57 137.72 19.68 Favored Pre-proline 0 C--N 1.322 -0.613 0 C-N-CA 123.164 0.586 . . . . 0.0 109.572 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' SER . 74.5 Cg_exo -52.08 148.68 23.34 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.471 2.114 . . . . 0.0 111.645 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -58.52 73.71 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.399 0.619 . . . . 0.0 112.608 -176.552 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' PRO . 45.1 t -76.27 -42.33 45.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.287 -177.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.658 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.6 pp -64.08 -40.9 90.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.005 0.431 . . . . 0.0 110.338 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 52' ' ' ILE . 6.7 tt -66.29 -41.55 89.63 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -65.75 -32.65 74.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.609 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -78.97 -23.2 44.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.403 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.9 m -68.71 127.61 33.68 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HE2' ' HA ' ' A' ' 57' ' ' LYS . 11.1 mmpt? -89.39 123.2 33.33 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HB2' ' HD3' ' A' ' 110' ' ' ARG . 16.6 ptpt -72.15 130.28 40.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.038 0.447 . . . . 0.0 110.483 -176.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.41 46.58 0.32 Allowed Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.504 ' HZ2' ' HB2' ' A' ' 60' ' ' LYS . 4.1 ttmp? -79.61 157.99 27.18 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -76.76 30.35 0.13 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -173.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 tp -99.4 118.77 36.76 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.951 -0.468 . . . . 0.0 109.912 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 ptp -140.04 139.65 36.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.245 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.456 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 62.6 mtt -116.54 118.44 32.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -87.86 102.58 14.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.599 HG21 HD13 ' A' ' 122' ' ' LEU . 21.3 t -103.85 102.89 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.67 0.271 . . . . 0.0 110.822 -177.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.657 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 35.1 m -73.23 98.88 2.72 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.983 0.42 . . . . 0.0 109.98 177.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' HB ' HD13 ' A' ' 80' ' ' ILE . 28.0 m -102.41 -37.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.522 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.746 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.8 t -66.05 -71.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -168.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.2 52.42 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.497 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -126.29 132.74 24.43 Favored Pre-proline 0 C--O 1.234 0.278 0 C-N-CA 123.224 0.609 . . . . 0.0 109.507 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.23 -39.75 87.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.971 2.447 . . . . 0.0 113.125 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.8 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -75.6 133.41 40.91 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.729 0.299 . . . . 0.0 111.077 -177.284 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.62 -19.73 62.58 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.979 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.8 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 56.9 pttt -47.17 -54.92 9.49 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.489 ' HG2' ' HG3' ' A' ' 75' ' ' LYS . 6.5 mm-40 -64.02 -50.86 66.81 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 111.243 -171.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.746 ' HB ' ' HB2' ' A' ' 69' ' ' SER . 12.7 t -61.48 -36.72 81.24 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.416 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.23 -43.02 92.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 25.1 mm-40 -57.98 -62.12 2.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.706 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.439 HD13 ' HB ' ' A' ' 68' ' ' VAL . 15.2 tt -62.38 -40.38 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -66.89 -36.07 81.45 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.282 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.9 m -69.8 -40.0 76.24 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 110.484 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.2 -50.13 74.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.519 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.4 m0 -62.11 -45.02 95.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.791 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.424 ' HG3' ' HG3' ' A' ' 97' ' ' ARG . 51.9 tt0 -50.6 -48.07 57.93 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.856 0.36 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.68 -52.98 44.71 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.139 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -62.69 -33.09 74.37 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -174.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 79.7 mt -66.46 -47.7 72.3 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.891 0.377 . . . . 0.0 110.206 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -70.13 -26.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.546 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -69.86 -27.76 65.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.18 0.514 . . . . 0.0 109.946 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.27 6.35 43.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.392 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 65.23 20.88 12.01 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.089 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.17 96.84 1.13 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -72.05 85.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.962 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.45 169.12 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.639 -174.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.826 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 14.8 mm100 -105.65 100.89 10.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.186 173.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.505 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -91.2 120.57 32.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.283 -178.649 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.438 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 85.5 m-85 -141.86 161.26 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.862 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.9 tt -127.58 104.35 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.205 0.526 . . . . 0.0 110.731 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 100' ' ' VAL . 5.9 p -114.8 106.57 20.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.19 102.64 1.86 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -168.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 m -44.06 -34.38 1.74 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -170.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.74 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 39.7 m-20 -76.0 -23.58 55.26 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -175.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 38.7 ptt180 -124.03 132.36 53.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 0.0 112.138 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.39 127.63 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 64' ' ' MET . 5.5 tt -99.49 114.36 37.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.305 0.574 . . . . 0.0 110.83 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.29 102.59 14.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.774 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.826 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 46.3 ttm -81.93 105.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 118' ' ' ILE . 65.9 mt -78.91 120.41 23.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.862 -177.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.471 ' HD3' ' HB2' ' A' ' 58' ' ' LYS . 96.8 mtt180 -64.21 -18.03 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.077 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -161.19 164.89 30.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.8 9.3 27.74 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-O 119.657 -0.524 . . . . 0.0 114.328 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 m -60.3 -27.09 67.03 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 117.996 0.898 . . . . 0.0 111.292 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -112.77 16.68 19.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.49 70.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.565 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.493 ' HZ2' ' HB2' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -70.11 -29.41 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.429 -178.598 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.89 -48.71 52.23 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.878 0.371 . . . . 0.0 110.06 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.976 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.59 -45.89 81.13 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.65 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.891 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -52.23 -42.47 63.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.042 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.599 HD13 HG21 ' A' ' 66' ' ' VAL . 84.6 mt -65.42 -48.28 73.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.734 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 m -81.44 -3.44 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.876 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 m -60.28 -30.92 69.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.699 175.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -93.12 140.22 29.74 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.165 0.507 . . . . 0.0 110.352 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.92 0.22 21.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.505 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -92.53 7.28 43.87 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.44 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.42 112.28 23.84 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.32 -45.96 10.74 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 111.737 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.657 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 9.5 tp10 -145.28 146.79 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.205 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.529 HG23 HG22 ' A' ' 66' ' ' VAL . 3.9 p -148.16 103.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.268 0.556 . . . . 0.0 110.252 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -111.32 119.6 39.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.699 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.5 pp -99.13 138.15 36.64 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.933 0.397 . . . . 0.0 110.34 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -95.01 150.7 19.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.725 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 112.65 -50.61 0.76 Allowed Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.967 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? 59.78 107.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 122.936 0.494 . . . . 0.0 110.44 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 68.5 mtm -129.43 -67.41 0.77 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.501 ' N ' ' HD2' ' A' ' 139' ' ' PRO . 51.6 m-85 -84.58 -49.9 0.61 Allowed Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.471 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 138' ' ' TYR . 46.8 Cg_endo -66.98 134.8 35.51 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.986 1.791 . . . . 0.0 111.578 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 81.89 -136.04 15.21 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.253 178.091 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' A' ' 4' ' ' ARG . 29.2 t70 -129.42 90.22 2.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.152 0.501 . . . . 0.0 110.048 -175.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.1 pt -84.35 46.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.449 0.642 . . . . 0.0 110.555 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.419 ' HB2' ' OD2' ' A' ' 2' ' ' ASP . 13.0 ttm180 -57.26 -28.26 62.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.787 -173.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.58 -47.27 76.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.42 . . . . 0.0 110.064 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.35 -45.47 84.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.529 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.521 ' O ' ' HB3' ' A' ' 11' ' ' MET . 15.9 m120 -53.3 -58.31 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.829 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.579 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.8 t70 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.333 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.5 -68.5 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.93 -54.22 29.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.688 -171.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.521 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -70.69 -41.65 71.73 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.833 -170.688 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.92 -37.03 70.13 Favored 'General case' 0 N--CA 1.461 0.08 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.634 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -66.78 -32.43 73.71 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.012 0.434 . . . . 0.0 110.1 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.2 tp -71.56 -41.79 68.65 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 176.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.85 -4.04 57.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.702 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -48.79 -50.55 33.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.801 0.334 . . . . 0.0 110.606 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 23.1 tm0? -61.36 -41.63 97.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -61.71 -42.04 98.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.71 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.12 -44.98 62.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.005 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -66.1 -35.24 79.97 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.259 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.51 -50.8 69.96 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.257 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 38.7 t70 -60.83 -40.62 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.925 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.93 -43.42 86.26 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.368 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 20' ' ' LYS . 81.5 mt -61.95 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -77.45 -7.76 56.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.98 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 43.6 mt-10 -76.13 -43.82 41.34 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 168.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.43 63.07 4.98 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.397 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.84 122.75 26.47 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.2 mm? -61.56 135.69 94.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.444 -178.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.7 168.1 1.83 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.099 2.533 . . . . 0.0 112.713 -177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.1 -18.93 64.88 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.238 0.542 . . . . 0.0 110.678 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -118.39 156.09 29.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.731 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.58 ' O ' ' HD3' ' A' ' 35' ' ' PRO . 34.8 ttpt -71.27 172.12 9.89 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 4.2 tmm_? -100.81 100.23 12.2 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 122.125 0.17 . . . . 0.0 110.72 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 53.1 Cg_endo -92.31 -2.62 3.93 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.255 2.637 . . . . 0.0 112.783 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 p -79.78 113.79 18.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.575 -174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.561 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -92.29 -50.1 0.3 Allowed Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 4.4 Cg_exo -77.13 101.04 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.129 1.886 . . . . 0.0 111.702 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 40' ' ' ASP . 2.7 pp -68.1 -16.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.315 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' N ' HD12 ' A' ' 39' ' ' ILE . 16.8 t70 -47.62 -56.02 8.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.95 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.83 -33.43 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.968 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -77.12 -31.2 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.902 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' NZ ' ' HB3' ' A' ' 43' ' ' LYS . 8.0 mtpm? -90.5 -34.41 15.57 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.608 0.242 . . . . 0.0 111.409 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -91.03 -38.86 12.54 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.111 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.1 t70 57.33 89.86 0.1 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 123.454 0.471 . . . . 0.0 110.595 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -72.31 -12.85 27.88 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.69 2.26 . . . . 0.0 112.583 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.14 5.12 58.1 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.837 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -98.5 110.47 56.86 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.459 ' O ' HG13 ' A' ' 52' ' ' ILE . 93.9 Cg_endo -79.8 43.77 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.036 2.491 . . . . 0.0 113.677 -171.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.68 -29.2 64.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.7 p -53.91 -53.74 48.43 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.404 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 56' ' ' THR . 2.7 pp -58.93 -42.01 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.9 tt -65.77 -37.54 86.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.465 0.65 . . . . 0.0 109.375 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -72.3 -26.41 61.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.321 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -91.62 -21.98 20.52 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.252 -175.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 52' ' ' ILE . 32.2 p -52.32 116.62 2.33 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -89.77 136.78 32.84 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.797 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -91.4 160.38 15.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.26 0.57 20.63 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.888 -0.673 . . . . 0.0 113.222 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.714 ' HG3' ' SD ' ' A' ' 108' ' ' MET . 3.2 mptp? -110.51 98.77 7.89 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.034 0.417 . . . . 0.0 110.072 176.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.1 m -87.64 -32.36 19.3 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.291 0.567 . . . . 0.0 110.132 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD13 ' HE1' ' A' ' 138' ' ' TYR . 44.9 tp -162.43 137.15 6.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.917 177.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -135.62 147.63 48.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.3 mtt -129.82 122.21 28.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -86.97 104.86 16.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG22 HG13 ' A' ' 131' ' ' VAL . 22.1 t -98.61 104.79 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.345 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -85.82 104.97 15.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.469 0.652 . . . . 0.0 109.661 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.656 HG11 HG21 ' A' ' 80' ' ' ILE . 17.2 t -102.61 -58.82 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.604 -172.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.541 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.2 t -72.25 -70.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.719 -171.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.96 -4.51 45.71 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.668 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.679 ' ND2' ' HD2' ' A' ' 72' ' ' PRO . 3.6 t-20 -111.48 133.75 21.37 Favored Pre-proline 0 C--O 1.234 0.281 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.679 ' HD2' ' ND2' ' A' ' 71' ' ' ASN . 80.2 Cg_exo -48.56 -19.66 2.14 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.358 2.705 . . . . 0.0 114.052 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.641 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 77.1 p -67.87 100.53 0.96 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.817 0.341 . . . . 0.0 110.614 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -57.8 -28.87 64.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.641 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.9 ptmm? -47.18 -43.97 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.454 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.74 -53.09 61.62 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.417 ' HA ' HG22 ' A' ' 80' ' ' ILE . 14.7 t -70.81 -37.47 73.24 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.72 -176.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.63 -51.34 65.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.074 0.464 . . . . 0.0 110.337 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 45.7 mt-10 -61.81 -46.79 87.99 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.094 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.656 HG21 HG11 ' A' ' 68' ' ' VAL . 11.3 tp -65.96 -39.6 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.978 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.7 m -64.22 -38.76 92.2 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.821 0.343 . . . . 0.0 110.539 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.8 m -63.92 -40.01 95.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.427 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.1 mt -60.72 -49.61 76.81 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.19 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -60.48 -40.96 93.19 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.679 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -52.24 -52.16 54.17 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.34 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.12 95.27 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.345 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.421 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 40.3 m -75.55 -20.4 58.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -94.91 -46.52 6.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.095 0.474 . . . . 0.0 110.691 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 86.0 m-85 -81.83 -2.69 51.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.958 -173.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 36.2 p30 -74.5 -27.48 60.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -103.64 14.68 30.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.698 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 44.35 63.54 1.62 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.669 -1.151 . . . . 0.0 113.267 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -87.89 109.18 19.59 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.44 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 4.5 m-20 -69.05 81.75 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.452 0.644 . . . . 0.0 110.737 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.7 m -131.61 156.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.875 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -115.14 140.76 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.161 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.61 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -135.38 131.5 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.692 -174.13 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -119.58 127.9 53.4 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 99' ' ' ILE . 8.3 tp -91.35 91.59 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.816 0.817 . . . . 0.0 110.155 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.17 137.47 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.247 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.07 103.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -51.89 -15.98 0.62 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.541 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.5 p-10 -100.31 -20.92 15.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 111.58 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -135.8 177.46 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.634 0.731 . . . . 0.0 112.329 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.6 138.63 23.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.09 172.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.9 tt -105.54 122.23 58.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.252 0.548 . . . . 0.0 111.23 -176.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -102.85 108.95 20.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.97 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.714 ' SD ' ' HG3' ' A' ' 60' ' ' LYS . 61.3 ttp -92.7 108.2 19.8 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.5 mt -84.6 134.97 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.294 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 94' ' ' ASP . 98.8 mtt180 -74.96 -20.4 59.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.117 0.484 . . . . 0.0 110.045 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -159.85 151.81 20.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.431 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.86 5.52 82.06 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.407 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -52.71 -36.61 57.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.466 0.306 . . . . 0.0 111.785 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -112.19 16.89 19.93 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 110.508 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.64 -57.69 11.82 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -172.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -62.93 -40.87 98.93 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.25 -47.14 80.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.322 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 14.2 tt -65.44 -35.44 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 123' ' ' VAL . 12.9 ttmm -54.89 -61.93 1.99 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.964 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -63.59 -30.81 71.87 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.225 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -57.14 -47.87 80.09 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 66.7 mt -66.54 -35.81 81.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.038 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 119' ' ' LYS . 61.0 t -70.02 -26.53 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.162 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.5 m -63.4 -10.21 15.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -70.15 149.23 47.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -62.63 -38.38 90.01 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.483 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 5.3 tpm_? -62.6 -29.09 70.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.2 t 65.78 120.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.687 0.617 . . . . 0.0 110.666 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.92 134.1 47.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -86.5 116.91 24.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.309 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.536 HG13 HG22 ' A' ' 66' ' ' VAL . 38.6 t -98.39 97.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.219 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.2 p -93.63 123.07 36.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 133' ' ' LEU . 3.3 pp -97.61 158.31 15.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.549 0.214 . . . . 0.0 111.18 -176.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.2 135.1 21.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.557 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.79 -135.82 19.76 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.951 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -157.41 94.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.409 ' HA ' ' CE ' ' A' ' 137' ' ' MET . 2.5 tpt 55.89 41.38 30.07 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.387 0.613 . . . . 0.0 109.909 -178.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.576 ' HA ' ' HD3' ' A' ' 141' ' ' LYS . 26.1 p90 -60.83 -30.2 6.6 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -171.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.533 ' HD3' ' CD1' ' A' ' 138' ' ' TYR . 52.7 Cg_exo -58.36 -19.29 42.51 Favored 'Trans proline' 0 C--N 1.367 1.524 0 C-N-CA 121.475 1.45 . . . . 0.0 112.509 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.82 -10.91 80.36 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.75 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' A' ' 138' ' ' TYR . 3.6 mptp? . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.763 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.431 -0.267 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.25 89.64 4.31 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.215 0.531 . . . . 0.0 110.357 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 3' ' ' ILE . 11.7 tt -152.26 14.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.05 0.928 . . . . 0.0 108.957 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -61.48 -23.22 65.73 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.855 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.59 -46.31 66.61 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.454 ' HB3' HG12 ' A' ' 3' ' ' ILE . 68.7 t80 -67.06 -47.39 71.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.815 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 11' ' ' MET . 4.8 m-20 -54.76 -54.69 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.089 178.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 21.7 t70 -53.66 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.253 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.14 -65.67 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 111.495 -175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.14 -58.86 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.794 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.564 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 28.9 mmt -66.58 -24.43 66.34 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.285 -170.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -75.63 -64.68 1.02 Allowed 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.839 171.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.508 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 3.1 mmp_? -57.3 -12.57 2.5 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -174.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.9 mt -107.32 -52.51 2.75 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.5 18.19 12.84 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.6 -23.73 42.86 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.103 -0.373 . . . . 0.0 111.196 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -45.37 -48.71 13.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.113 0.483 . . . . 0.0 111.137 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -78.73 -43.67 25.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.469 -171.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -77.35 -27.84 52.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.042 0.449 . . . . 0.0 110.865 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -77.53 -37.36 51.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.27 -44.88 96.5 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -32.91 74.83 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.981 175.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.18 -38.57 91.53 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.058 0.456 . . . . 0.0 110.683 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.23 -26.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -76.02 -43.33 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.408 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -163.82 -161.36 0.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.872 -175.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.26 54.69 22.33 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.792 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.67 128.3 33.28 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 90.3 mt -91.9 116.73 67.01 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.25 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 2.8 Cg_exo -74.58 65.96 5.64 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.759 2.306 . . . . 0.0 110.769 176.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.03 -41.09 78.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.601 -176.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -132.34 107.67 8.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.909 -177.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 65.2 tttp -80.94 163.32 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 20.6 tpp180 -55.82 113.73 6.21 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 122.363 0.265 . . . . 0.0 110.438 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.502 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 50.9 Cg_exo -55.06 -29.63 66.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.897 2.398 . . . . 0.0 112.726 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.414 ' OG ' HD12 ' A' ' 39' ' ' ILE . 25.4 p -100.45 108.67 20.72 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -61.38 -48.81 90.01 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.845 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 80.7 Cg_exo -47.82 -47.22 19.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 122.25 1.967 . . . . 0.0 112.763 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.414 HD12 ' OG ' ' A' ' 36' ' ' SER . 56.4 mt -65.05 -43.3 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.617 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' O ' HD13 ' A' ' 44' ' ' LEU . 32.4 t70 -59.12 -57.09 14.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.429 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 59.5 m-85 -63.65 -29.08 70.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -63.16 -41.13 99.21 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.87 -44.18 90.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.075 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 40' ' ' ASP . 9.8 mp -72.15 -16.31 61.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 177.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t70 67.34 94.38 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.387 0 C-N-CA 122.935 0.494 . . . . 0.0 110.291 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 63.4 Cg_exo -37.81 -47.29 2.04 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 123.969 3.113 . . . . 0.0 113.96 -171.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.3 11.64 84.76 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.482 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD2' ' HD2' ' A' ' 49' ' ' PRO . 19.3 tptp -65.86 126.86 92.55 Favored Pre-proline 0 C--O 1.234 0.284 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.493 ' O ' HG12 ' A' ' 52' ' ' ILE . 11.5 Cg_endo -53.18 123.48 13.31 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.098 2.532 . . . . 0.0 113.019 -173.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -16.82 27.62 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.764 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.5 t -45.81 -34.17 3.57 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.186 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 49' ' ' PRO . 31.8 pt -64.39 -40.73 90.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.86 0.362 . . . . 0.0 110.596 177.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.31 -32.16 71.11 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.942 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -72.41 -31.37 65.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.215 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -79.89 -24.11 41.39 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.8 p -80.02 97.67 6.89 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -109.57 113.91 27.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.416 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -76.98 157.89 30.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.51 13.04 17.9 Favored Glycine 0 N--CA 1.454 -0.133 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -173.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -79.22 104.32 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.3 p -85.07 -30.81 23.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.742 -174.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 63' ' ' MET . 5.9 tt -162.26 145.17 11.47 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.582 ' N ' HD23 ' A' ' 62' ' ' LEU . 21.3 ptp -146.62 162.41 38.48 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.12 139.04 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 111.323 175.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -96.84 108.38 21.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.291 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 122' ' ' LEU . 17.9 t -96.28 106.68 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.783 -177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.732 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 22.8 m -78.06 101.65 7.06 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.602 HG11 HG21 ' A' ' 80' ' ' ILE . 18.7 t -102.34 -51.4 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.274 0.559 . . . . 0.0 111.334 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.4 t -76.26 -64.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.358 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.81 6.37 67.07 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -170.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 38.0 t30 -126.38 129.51 24.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.469 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 98.9 Cg_exo -46.73 -20.36 1.04 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.344 2.696 . . . . 0.0 114.292 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.409 HG23 ' HD3' ' A' ' 75' ' ' LYS . 30.5 m -57.21 100.48 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' A' ' 74' ' ' GLU . 13.3 mt-10 -50.76 -33.0 21.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.656 0.741 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.689 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 3.1 mptp? -63.75 -31.84 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.161 -168.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.22 -58.81 6.37 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.51 ' HA ' HG22 ' A' ' 80' ' ' ILE . 8.8 t -67.23 -35.82 80.36 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.468 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -55.5 -58.32 8.27 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.09 0.471 . . . . 0.0 110.638 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 42.1 mm-40 -65.15 -46.32 81.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.35 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.602 HG21 HG11 ' A' ' 68' ' ' VAL . 10.3 tp -65.66 -39.34 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.05 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -70.02 -31.76 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.27 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 t -64.73 -41.36 96.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 97.7 mt -61.04 -47.19 87.55 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.231 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.461 ' HE1' ' HG3' ' A' ' 125' ' ' GLN . 35.4 m0 -64.87 -38.56 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.751 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -56.97 -53.33 59.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.92 88.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.905 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -56.37 -46.6 79.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 111.22 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 96.5 mt -68.39 -34.37 75.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.66 -14.85 59.51 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.692 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -82.56 -42.27 18.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 172.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.15 53.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.442 176.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 67.39 76.52 0.28 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.525 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -134.22 105.38 6.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.785 173.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.24 91.06 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.087 0.47 . . . . 0.0 109.886 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.61 139.22 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.083 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -101.74 106.86 17.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.699 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -112.75 141.34 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.815 -175.371 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -135.9 149.67 49.06 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.03 0.443 . . . . 0.0 110.592 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.13 99.84 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.866 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 100' ' ' VAL . 15.1 m -125.38 101.69 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.311 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.82 104.33 2.05 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -170.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m -54.48 -14.77 1.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.539 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 9.0 p-10 -84.12 -25.07 29.98 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 120.892 0.377 . . . . 0.0 111.403 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -133.28 178.33 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.216 0.532 . . . . 0.0 111.789 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.28 139.24 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.15 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.4 tt -103.18 127.27 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.153 -177.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -109.25 115.94 30.96 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.756 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 81.9 mtp -102.33 120.65 40.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.396 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 118' ' ' ILE . 6.0 mp -100.28 163.33 12.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.474 ' HA ' HH11 ' A' ' 110' ' ' ARG . 9.4 mmm180 -97.63 -23.42 15.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.086 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.555 ' HB3' ' HE1' ' A' ' 114' ' ' TYR . 13.2 t70 -137.39 151.23 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.7 -8.86 59.15 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.858 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.4 t -72.9 -55.16 7.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 117.437 0.619 . . . . 0.0 110.356 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.555 ' HE1' ' HB3' ' A' ' 111' ' ' ASP . 33.1 p90 -73.8 0.2 13.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.701 0.286 . . . . 0.0 110.792 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . . . -59.42 -38.04 79.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 177.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -39.16 65.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.1 -51.57 69.17 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.444 0.465 . . . . 0.0 110.719 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.664 HG21 HD21 ' A' ' 109' ' ' LEU . 11.3 tt -65.27 -38.0 81.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -44.87 73.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 176.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.542 ' HA ' HG22 ' A' ' 123' ' ' VAL . 56.1 m-20 -67.55 -45.31 76.01 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.175 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.66 -41.77 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.456 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 66' ' ' VAL . 96.3 mt -67.34 -44.51 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.024 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.671 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 27.7 m -78.35 -12.39 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.45 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.2 m -85.11 -13.63 49.64 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.582 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.521 HE22 ' HB3' ' A' ' 127' ' ' ARG . 0.4 OUTLIER -76.05 126.62 31.34 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 175.705 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.52 -36.42 44.7 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -169.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.521 ' HB3' HE22 ' A' ' 125' ' ' GLN . 66.3 ttt180 -91.03 24.24 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.961 0.41 . . . . 0.0 111.445 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.671 ' SG ' ' HA ' ' A' ' 123' ' ' VAL . 42.5 t -74.43 94.56 2.59 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.022 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.49 5.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.22 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.732 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 4.9 tm-20 -151.94 144.88 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.453 HG23 HG22 ' A' ' 66' ' ' VAL . 4.4 p -144.89 104.82 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.26 0.552 . . . . 0.0 110.82 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 79.5 m -88.65 115.91 26.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.668 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.8 tt -99.67 115.54 29.69 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.832 -172.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.428 ' HB2' ' HG3' ' A' ' 63' ' ' MET . 8.6 mm-40 -87.01 85.84 7.28 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.085 177.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 162.68 55.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.92 80.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 111.061 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 69.6 mtm -104.6 -52.06 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.856 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -147.28 69.1 11.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.071 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.09 177.63 5.6 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.064 2.509 . . . . 0.0 112.266 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 84.87 171.2 48.0 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -174.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.031 -179.601 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.159 -0.377 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -166.27 166.79 16.55 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 tt -90.13 -2.67 10.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 120.681 0.277 . . . . 0.0 111.538 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -58.13 -21.78 48.14 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 122.339 -0.226 . . . . 0.0 111.505 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -47.36 -45.93 25.29 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.968 0.413 . . . . 0.0 109.915 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -58.73 -44.04 90.33 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.41 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -58.57 -62.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.199 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -57.79 -55.74 31.02 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -54.2 45.62 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.131 -173.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.84 -46.63 68.02 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 29.0 mmt -63.32 -40.76 98.21 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.332 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 110.178 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -54.38 -42.4 70.31 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.83 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -84.39 -52.71 5.97 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.533 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.83 -31.11 70.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.73 -34.04 69.07 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.423 . . . . 0.0 110.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -62.89 -45.6 91.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.831 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -64.57 -41.88 95.99 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.28 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.47 -61.26 2.53 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.725 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -60.1 -49.2 78.59 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.65 -176.554 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -57.58 -41.24 80.73 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.217 0.532 . . . . 0.0 110.416 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.61 -53.27 60.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.203 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -77.77 -20.96 52.47 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.423 -175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 20' ' ' LYS . 53.3 mt -65.91 -45.41 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 174.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.77 -40.94 63.09 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.358 0.599 . . . . 0.0 109.706 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 55.82 18.19 2.84 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.98 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.12 21.74 40.82 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.914 -0.584 . . . . 0.0 113.745 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.65 152.66 24.66 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 117.779 0.789 . . . . 0.0 109.98 176.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.3 mm? -81.02 123.17 82.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.993 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.58 88.6 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.509 2.139 . . . . 0.0 112.345 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.75 -24.93 62.71 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.758 0.79 . . . . 0.0 108.916 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -125.87 126.41 44.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.441 -1.254 . . . . 0.0 109.109 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -75.5 164.49 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.033 0.444 . . . . 0.0 111.536 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -83.71 111.15 30.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -46.91 -38.85 24.07 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.337 2.691 . . . . 0.0 113.551 -173.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -87.01 112.12 21.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.4 -47.97 0.53 Allowed Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.695 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -81.1 40.17 0.96 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.204 1.936 . . . . 0.0 112.767 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.7 pt -56.17 -29.65 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.17 -41.64 84.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.395 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.34 -25.83 67.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.42 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -78.05 -39.7 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.56 97.82 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -94.15 -65.45 0.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.99 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.1 t70 58.44 83.0 0.22 Allowed Pre-proline 0 N--CA 1.469 0.477 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.213 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.3 -44.08 3.84 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.786 2.324 . . . . 0.0 112.46 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.46 -54.75 4.61 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.103 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 48' ' ' LYS . 43.5 mtmt -80.65 163.59 55.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 C-N-CA 122.573 0.349 . . . . 0.0 110.628 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 48' ' ' LYS . 73.9 Cg_endo -75.61 97.32 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.153 1.902 . . . . 0.0 110.796 172.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -72.14 97.35 1.93 Allowed 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.148 0.499 . . . . 0.0 110.806 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.5 t -60.69 -31.82 71.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.064 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.567 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.6 pp -60.03 -48.0 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.44 176.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.567 ' N ' HD12 ' A' ' 52' ' ' ILE . 9.5 tt -63.71 -32.43 73.92 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.517 0.675 . . . . 0.0 109.29 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -71.38 -34.07 70.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.284 177.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.522 ' HG3' ' HA ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -99.41 -4.19 32.07 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -173.416 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 52' ' ' ILE . 23.4 p -48.75 124.04 7.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.892 0.377 . . . . 0.0 111.274 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.555 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 2.8 ttmp? -122.37 140.42 52.7 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.459 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -106.39 161.3 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.2 -175.628 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.556 ' HA3' HH21 ' A' ' 110' ' ' ARG . . . 115.32 68.07 0.44 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.979 176.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HD2' ' SD ' ' A' ' 108' ' ' MET . 20.6 pttp -158.76 105.38 1.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 m -98.59 -30.33 12.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.811 -171.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.703 HD23 HD12 ' A' ' 109' ' ' LEU . 57.2 tp -135.45 145.32 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.274 -176.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.8 mtm -127.82 138.28 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.447 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 63.5 mtt -128.21 120.33 27.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.246 178.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.84 101.62 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 122' ' ' LEU . 17.1 t -95.63 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.628 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.7 m -72.85 103.42 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.55 HG11 HG21 ' A' ' 80' ' ' ILE . 26.2 t -100.05 -43.65 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.542 . . . . 0.0 110.463 -174.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 37.7 t -91.39 -63.91 1.19 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.274 -175.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.503 ' H ' ' HB2' ' A' ' 103' ' ' ASP . . . 87.43 -11.01 67.08 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.433 -171.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.502 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 3.7 p-10 -126.17 151.44 71.97 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.32 -15.23 47.43 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.071 3.181 . . . . 0.0 116.734 -166.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.502 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -68.55 162.13 26.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.505 1.048 . . . . 0.0 112.278 -163.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -87.15 -17.95 31.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.555 -175.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.42 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 59.2 mttt -56.14 -73.12 0.06 Allowed 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.856 0.836 . . . . 0.0 110.989 -173.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 1.3 pm0 -55.61 -45.21 77.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.995 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -63.85 -42.74 97.49 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.015 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.52 -49.15 74.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.113 0.482 . . . . 0.0 109.784 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -50.52 73.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.675 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG21 HG11 ' A' ' 68' ' ' VAL . 11.3 tp -72.07 -40.61 67.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.358 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 m -64.15 -40.15 95.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.0 p -68.12 -39.03 82.86 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.44 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.29 -58.48 7.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.744 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -64.52 -34.77 79.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.8 -35.73 71.23 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.102 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.53 -61.29 2.99 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.112 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -57.34 -50.05 74.2 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.64 -38.79 84.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.794 0.33 . . . . 0.0 111.492 -173.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.09 -32.46 39.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.597 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -75.44 -22.09 57.63 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 109.999 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.06 2.99 40.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.461 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 66.92 44.41 2.03 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.755 173.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -90.46 164.14 14.38 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.69 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 4.5 p30 -92.99 15.97 13.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.701 HG12 HD22 ' A' ' 109' ' ' LEU . 18.0 m -87.18 132.85 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -173.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -113.6 142.34 46.09 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.549 ' H ' ' HD3' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -117.66 143.53 46.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.487 -177.211 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -142.54 150.3 40.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.185 173.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -111.11 114.24 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.262 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 100' ' ' VAL . 7.5 p -146.07 106.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 176.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.65 87.02 0.61 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 -162.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.0 p -48.06 -32.28 6.51 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.704 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.9 p-10 -67.91 -21.5 65.13 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 120.789 0.328 . . . . 0.0 111.425 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -129.1 122.36 29.76 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 110.742 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 127.5 38.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -97.91 131.67 44.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.441 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -117.25 125.96 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.127 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.515 ' SD ' ' HD2' ' A' ' 60' ' ' LYS . 56.3 mtm -107.79 112.51 25.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 62' ' ' LEU . 18.0 mt -91.53 131.83 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.419 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.556 HH21 ' HA3' ' A' ' 59' ' ' GLY . 37.3 mtp180 -83.17 -25.54 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 0.0 109.762 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -131.58 165.74 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.272 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.05 -3.2 39.12 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.208 -175.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -61.61 -34.77 76.21 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.959 0.379 . . . . 0.0 111.784 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -103.59 11.81 35.73 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.601 0.239 . . . . 0.0 110.605 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.5 -65.29 0.62 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.945 0.402 . . . . 0.0 112.036 -175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -33.46 75.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.09 -50.13 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.326 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.592 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 11.2 tt -67.95 -36.96 77.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.722 ' HG2' HG11 ' A' ' 131' ' ' VAL . 1.2 tmmt? -52.49 -54.73 28.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.087 0.47 . . . . 0.0 110.336 177.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.568 ' HA ' HG22 ' A' ' 123' ' ' VAL . 18.9 m-20 -66.38 -35.33 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.676 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.96 -40.4 84.59 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 110.47 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.633 HD13 HG21 ' A' ' 66' ' ' VAL . 88.0 mt -68.72 -46.94 67.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.781 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 120' ' ' ASP . 19.0 m -70.74 -24.92 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.6 t -80.64 -3.65 51.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.464 ' HG2' HD11 ' A' ' 80' ' ' ILE . 6.2 tp-100 -60.39 151.75 27.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.557 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.03 -43.28 63.65 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 122.754 0.422 . . . . 0.0 111.59 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 53.1 tpt85 -67.97 -18.7 64.82 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.318 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m 61.52 79.75 0.24 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 110.345 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.92 129.88 37.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.552 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -92.66 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.154 0.502 . . . . 0.0 110.134 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.722 HG11 ' HG2' ' A' ' 119' ' ' LYS . 7.7 p -95.45 139.32 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.365 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.3 m -125.32 130.48 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.195 173.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.602 ' HB2' ' HG2' ' A' ' 137' ' ' MET . 7.2 mp -86.21 146.92 26.35 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.594 -176.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.04 137.39 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 94.65 -84.86 0.98 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.404 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -126.94 123.26 36.76 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.726 0.298 . . . . 0.0 111.211 -175.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.602 ' HG2' ' HB2' ' A' ' 133' ' ' LEU . 73.9 mtp -103.61 100.44 10.28 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 174.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -137.93 117.72 10.06 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.077 -174.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.52 -28.1 38.7 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.36 -104.09 3.13 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.735 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.339 -178.937 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.02 140.62 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 0.0 111.404 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.611 HG22 ' HB3' ' A' ' 6' ' ' TYR . 11.5 mt -92.42 47.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 173.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -56.66 -37.84 71.36 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.338 -1.301 . . . . 0.0 112.369 -166.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.61 -45.2 92.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.273 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.611 ' HB3' HG22 ' A' ' 3' ' ' ILE . 26.5 t80 -58.61 -47.9 82.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.862 175.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.02 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.337 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.15 -59.53 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.645 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -66.07 -56.03 13.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 16.0 t70 -69.12 -39.88 78.65 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.926 -172.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.425 ' O ' HD13 ' A' ' 15' ' ' LEU . 26.2 mmt -69.17 -36.68 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.231 178.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -57.99 -47.36 83.24 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 175.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 21.0 mtm180 -64.94 -39.04 92.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.995 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.07 -52.11 64.02 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.027 0.441 . . . . 0.0 109.867 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 10.4 mp -67.97 -28.77 67.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 11.0 tm-20 -54.38 -35.78 63.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 89.6 mt-30 -57.59 -48.09 80.33 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.407 178.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.627 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 74.1 m95 -66.46 -39.35 88.77 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 13.6 mm-40 -58.95 -51.94 67.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.511 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 17' ' ' GLN . 21.1 ptmt -66.72 -40.35 88.37 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.142 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -58.69 -40.52 83.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.096 0.474 . . . . 0.0 109.932 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 30.5 t70 -65.68 -39.84 91.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 178.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.0 -40.82 96.98 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.738 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 20' ' ' LYS . 78.2 mt -73.01 -57.86 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.636 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -95.04 -20.36 19.4 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -171.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 44.7 mt-10 65.97 95.95 0.05 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.984 0.514 . . . . 0.0 111.843 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.34 90.33 0.01 OUTLIER Glycine 0 C--N 1.335 0.524 0 O-C-N 123.629 0.581 . . . . 0.0 114.146 172.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.57 98.47 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 90.9 mt -103.42 168.25 8.98 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.525 -175.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 29' ' ' LEU . 16.3 Cg_endo -57.45 -176.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.86 2.373 . . . . 0.0 112.497 173.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -67.43 -6.09 17.72 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.025 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -122.19 106.0 10.74 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.007 0.432 . . . . 0.0 110.135 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' HG2' ' HB2' ' A' ' 29' ' ' LEU . 37.8 mtmt -102.36 -177.14 3.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.388 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -50.23 116.13 6.22 Favored Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.917 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.93 -14.58 23.85 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.496 2.131 . . . . 0.0 111.235 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.8 t -129.18 126.88 40.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.517 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -74.98 -47.59 4.71 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.234 -177.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 54.5 Cg_endo -68.19 88.81 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 121.826 1.684 . . . . 0.0 111.986 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 pt -63.03 -18.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.745 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.99 -60.06 3.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.585 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 92.3 m-85 -62.41 -35.6 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.814 -177.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.5 t -66.63 -32.07 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.54 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -79.17 -47.69 15.58 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp -76.7 -27.31 55.44 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.361 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 61.46 90.55 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.467 0 O-C-N 123.469 0.481 . . . . 0.0 110.342 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.573 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 7.9 Cg_exo -71.48 139.42 34.47 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.882 2.388 . . . . 0.0 112.469 -172.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.1 11.13 82.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.928 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -57.98 109.39 1.76 Allowed Pre-proline 0 CA--C 1.536 0.409 0 CA-C-O 120.66 0.267 . . . . 0.0 110.818 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.591 ' O ' HG12 ' A' ' 52' ' ' ILE . 12.5 Cg_exo -70.27 -21.45 31.12 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.016 2.477 . . . . 0.0 112.769 -174.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.564 ' HA ' HD23 ' A' ' 53' ' ' LEU . 3.1 mp0 -57.4 -18.21 16.63 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -176.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.3 t -52.49 -47.0 66.82 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.066 0.46 . . . . 0.0 110.588 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.618 HG13 HD22 ' A' ' 53' ' ' LEU . 32.0 pt -68.64 -37.1 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.459 -178.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.618 HD22 HG13 ' A' ' 52' ' ' ILE . 3.0 mm? -67.77 -23.81 65.27 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.673 0.273 . . . . 0.0 110.316 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.9 -45.43 28.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.822 178.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 52' ' ' ILE . 25.6 ptt? -79.91 -20.41 45.85 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.789 -177.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.6 m -87.6 112.46 22.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.691 0.282 . . . . 0.0 110.639 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -134.28 143.54 47.81 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.989 0.424 . . . . 0.0 111.09 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -108.45 161.77 14.73 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.794 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.84 64.02 0.75 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.057 177.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 20.0 pttp -147.92 107.22 3.9 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.13 0.491 . . . . 0.0 110.45 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -89.06 -32.05 17.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -162.73 123.29 2.41 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.692 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.7 ptp -128.03 150.1 50.08 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 174.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG2' HD23 ' A' ' 133' ' ' LEU . 57.5 mtt -125.6 146.39 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.659 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 132' ' ' THR . 97.5 m-85 -109.11 110.2 21.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG21 HD13 ' A' ' 122' ' ' LEU . 32.9 t -99.55 101.81 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.364 -177.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 130' ' ' GLU . 7.5 t -84.55 109.73 18.17 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.5 0.667 . . . . 0.0 110.004 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.756 HG11 HG21 ' A' ' 80' ' ' ILE . 38.4 t -103.29 -60.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.534 -172.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -78.83 -58.41 3.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.381 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.88 0.14 84.27 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -173.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 5.1 p-10 -126.13 145.76 53.46 Favored Pre-proline 0 C--O 1.234 0.287 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 71' ' ' ASN . 34.6 Cg_exo -59.54 -19.88 54.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.361 2.707 . . . . 0.0 114.337 -170.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.492 HG21 ' NZ ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -60.39 108.14 0.77 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.039 0.447 . . . . 0.0 110.335 -178.073 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -63.09 -37.23 86.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.579 -169.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.492 ' NZ ' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER -58.98 -25.3 63.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -167.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.65 -71.09 0.16 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.611 ' HA ' HG22 ' A' ' 80' ' ' ILE . 87.0 m -65.42 -30.59 71.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 -176.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -59.44 -55.58 32.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.104 0.478 . . . . 0.0 110.508 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.94 -44.66 84.43 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.583 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.756 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -63.26 -36.87 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.543 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.5 m -67.18 -36.56 82.03 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.207 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 66.3 m -59.19 -44.22 92.2 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.142 0.496 . . . . 0.0 110.288 175.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 80' ' ' ILE . 88.2 mt -62.96 -49.48 74.56 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.388 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.511 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 m0 -59.01 -55.36 36.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.382 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 82' ' ' SER . 1.2 pp0? -55.54 -40.72 72.23 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.28 97.1 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.692 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.3 t -76.82 -17.15 59.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.255 0.222 . . . . 0.0 111.308 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 97.8 mt -90.95 -41.26 11.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 111.128 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 35.7 m-85 -75.79 -17.54 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -74.97 -20.75 59.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.09 8.39 44.62 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.488 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.1 t30 51.61 77.4 0.14 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.341 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -109.41 132.99 53.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 172.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 110' ' ' ARG . 23.4 p-10 -89.41 41.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.557 0.694 . . . . 0.0 110.581 -175.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.447 HG12 ' HG ' ' A' ' 109' ' ' LEU . 27.3 m -87.69 133.47 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.718 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' HA ' ' OE1' ' A' ' 96' ' ' GLN . 14.0 mm-40 -100.51 110.23 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.265 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.591 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -113.29 128.07 56.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.12 -170.595 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -140.55 159.37 42.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.406 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' A' ' 102' ' ' SER . 10.0 tt -114.48 110.07 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.217 0.532 . . . . 0.0 110.57 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 100' ' ' VAL . 15.4 m -119.6 105.33 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.287 177.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.45 101.52 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -171.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.458 ' HA ' HD11 ' A' ' 99' ' ' ILE . 47.9 t -41.79 -30.65 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.4 -35.31 62.73 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.96 0.41 . . . . 0.0 111.575 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.492 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -144.5 149.99 36.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.193 0.52 . . . . 0.0 111.656 -173.861 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.36 136.78 49.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.381 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tt -93.94 113.81 29.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.674 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.42 102.78 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.678 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.3 mtm -87.67 133.96 33.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.555 HD21 HG21 ' A' ' 118' ' ' ILE . 6.5 mp -111.32 120.01 40.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.455 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 55.5 ttp180 -73.93 -38.32 64.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -112.47 111.55 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.153 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.9 22.75 34.44 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 121.168 -0.539 . . . . 0.0 113.02 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.1 t -70.74 -45.93 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.001 0.401 . . . . 0.0 110.153 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -89.35 21.81 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.2 -45.96 72.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.749 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -67.97 -33.06 73.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -71.43 -47.86 53.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.555 HG21 HD21 ' A' ' 109' ' ' LEU . 11.9 tt -65.1 -39.35 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.446 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.42 -52.95 63.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.73 -38.49 69.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.456 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.79 -50.76 72.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.836 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.529 HD13 HG21 ' A' ' 66' ' ' VAL . 86.4 mt -63.31 -37.19 86.28 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 66.3 t -74.37 -31.12 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.44 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -73.36 -0.36 14.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.294 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.435 ' HG3' ' H ' ' A' ' 127' ' ' ARG . 6.1 tp-100 -57.05 150.64 16.68 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -58.78 -33.51 70.41 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 110.718 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.435 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 23.4 ttm180 -84.52 -12.68 53.74 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.0 m 57.0 87.79 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.51 148.96 26.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.836 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.446 ' HB2' HG23 ' A' ' 67' ' ' THR . 40.4 mt-10 -94.76 113.86 25.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.639 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 39.3 t -105.68 117.97 52.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.606 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 65' ' ' PHE . 11.8 t -112.89 147.99 35.88 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.485 HD23 ' HG2' ' A' ' 64' ' ' MET . 89.2 mt -90.98 145.69 24.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.971 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -88.23 132.37 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 113.55 -79.43 0.27 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.365 -0.445 . . . . 0.0 111.998 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -169.01 -179.69 3.73 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.403 ' HA ' ' CE ' ' A' ' 137' ' ' MET . 0.2 OUTLIER -79.97 79.74 6.47 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.399 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -55.75 -50.51 86.65 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.413 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.44 5.39 4.23 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.952 1.768 . . . . 0.0 113.201 -176.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -157.31 83.53 0.14 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.238 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.845 -0.597 . . . . 0.0 109.836 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -138.21 123.49 19.34 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -89.87 36.43 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -50.42 -37.77 39.66 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.42 -50.05 66.01 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.495 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.14 -44.02 93.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.103 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' MET . 14.3 m120 -55.37 -64.17 0.93 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.477 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.14 -57.3 12.31 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.727 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.43 -66.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 111.766 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -69.01 -43.72 74.22 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.06 -171.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 15' ' ' LEU . 43.0 ttm -74.03 -37.42 64.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -174.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.39 80.39 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.735 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -38.36 85.64 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.2 tp -67.2 -44.7 78.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.082 0.467 . . . . 0.0 110.404 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.511 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 9.7 mp -78.81 -7.54 57.94 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.168 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -48.47 -42.2 31.95 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.922 0.489 . . . . 0.0 110.941 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -63.11 -45.15 93.36 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.852 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.511 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 92.8 m95 -66.29 -40.04 89.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 -177.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.07 71.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' HG13 ' A' ' 24' ' ' ILE . 23.8 tptp -69.36 -39.8 77.89 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 11.8 m-20 -62.55 -37.84 87.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.62 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 14.8 t70 -58.72 -46.06 88.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.491 176.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.87 -43.9 77.58 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.6 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 20' ' ' LYS . 73.8 mt -62.32 -37.97 80.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.403 178.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 45.0 mt-10 -72.61 -30.08 64.05 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.422 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 46.0 mt-10 -53.75 -57.83 9.41 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.667 0.27 . . . . 0.0 110.551 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.97 82.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -176.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.08 152.49 32.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.384 . . . . 0.0 110.884 -173.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.9 mt -127.27 143.34 46.8 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.964 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.12 -179.99 5.56 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.572 2.182 . . . . 0.0 111.687 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -73.37 -17.55 61.27 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.403 0.62 . . . . 0.0 109.989 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -78.11 168.84 19.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.045 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -67.17 -179.87 1.06 Allowed 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -53.24 122.25 29.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.99 0.57 4.88 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.864 2.376 . . . . 0.0 113.04 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -68.9 107.35 3.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.57 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -85.1 -47.98 0.62 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.879 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 23.6 Cg_endo -60.35 124.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 121.75 1.634 . . . . 0.0 111.775 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.2 tt -78.7 1.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.878 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 5.7 m-20 -45.4 -33.98 2.85 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.051 0.541 . . . . 0.0 112.049 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -54.43 -54.39 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 110.679 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -83.5 -27.45 29.4 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.351 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.525 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 23.3 tptm -62.8 -51.77 65.78 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.267 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mp -81.27 -41.98 21.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.648 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 32.5 t70 54.31 58.39 12.15 Favored Pre-proline 0 N--CA 1.469 0.503 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -174.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 45' ' ' ASP . 68.3 Cg_endo -96.55 130.11 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.313 2.675 . . . . 0.0 114.259 -169.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.535 ' O ' ' HD3' ' A' ' 49' ' ' PRO . . . 87.79 -21.79 21.07 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.989 -0.55 . . . . 0.0 114.19 167.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -95.89 109.1 44.7 Favored Pre-proline 0 N--CA 1.466 0.33 0 CA-C-N 117.513 0.657 . . . . 0.0 111.764 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 47' ' ' GLY . 43.0 Cg_endo -96.98 -73.12 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.521 2.814 . . . . 0.0 111.006 170.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 55.05 72.33 0.48 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.081 0.552 . . . . 0.0 111.913 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.4 t -53.72 -38.44 64.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.948 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.647 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.5 pp -57.26 -41.88 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.235 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 52' ' ' ILE . 9.4 tt -71.93 -33.54 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.06 0.457 . . . . 0.0 109.898 -177.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -77.35 -31.96 54.8 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.587 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.456 ' HG3' ' HA ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -85.05 -21.87 29.22 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.936 -177.853 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.5 m -75.46 120.9 21.53 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.98 108.53 19.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.013 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -83.82 106.03 15.18 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.873 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.83 70.82 1.07 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.781 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.785 ' HD3' ' H ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -79.07 114.13 17.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.229 0.537 . . . . 0.0 109.642 179.122 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.5 p -81.62 -24.58 36.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.598 -172.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.466 ' HG ' HD23 ' A' ' 109' ' ' LEU . 42.4 tp -80.31 104.89 11.17 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.211 0.529 . . . . 0.0 111.2 -171.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.573 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 15.7 ptp -134.83 137.51 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.911 172.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.4 ' HB2' HG12 ' A' ' 131' ' ' VAL . 10.7 ptm -139.95 128.45 22.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.682 -173.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.37 115.38 23.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.48 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 HD13 ' A' ' 122' ' ' LEU . 26.3 t -96.7 106.59 18.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.3 t -89.47 110.65 21.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.237 0.542 . . . . 0.0 109.893 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.718 HG11 HG21 ' A' ' 80' ' ' ILE . 48.4 t -101.82 -56.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.738 -176.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.734 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 19.8 m -61.53 -50.58 72.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.565 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.25 -4.1 5.13 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.668 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 65.7 t30 -127.97 142.25 43.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 124.407 1.083 . . . . 0.0 108.393 -173.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.668 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 24.7 Cg_exo -39.06 -17.09 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 124.128 3.219 . . . . 0.0 115.83 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 71' ' ' ASN . 2.2 t -63.72 128.57 36.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.385 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -79.53 -24.36 42.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.726 ' HD2' ' H ' ' A' ' 75' ' ' LYS . 2.6 mptp? -58.62 -48.19 81.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.3 -165.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.556 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.8 mm-40 -58.49 -62.82 1.57 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.158 0.504 . . . . 0.0 110.68 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 m -59.84 -37.6 79.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.832 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.79 -52.83 54.75 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.575 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 8.7 mm-40 -59.87 -48.0 83.47 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.718 HG21 HG11 ' A' ' 68' ' ' VAL . 11.4 tp -66.34 -38.28 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.841 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.7 m -64.93 -34.04 77.46 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.69 0.281 . . . . 0.0 110.293 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.6 t -64.46 -45.03 89.17 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.394 0.616 . . . . 0.0 109.626 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.599 HD12 HD12 ' A' ' 80' ' ' ILE . 78.7 mt -57.21 -38.72 74.13 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.947 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.722 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 28.7 m0 -74.54 -31.51 62.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.437 ' OE1' ' HD2' ' A' ' 97' ' ' ARG . 7.9 tp60 -58.03 -35.57 71.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.93 -50.92 4.7 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.452 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.412 ' HA ' ' OD1' ' A' ' 90' ' ' ASN . 61.5 m -61.38 -58.28 8.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.09 -35.19 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.739 0.304 . . . . 0.0 111.438 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HZ ' HH11 ' A' ' 97' ' ' ARG . 12.5 m-85 -78.12 -34.44 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.412 ' OD1' ' HA ' ' A' ' 87' ' ' SER . 0.9 OUTLIER -70.19 -23.4 62.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.495 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.01 4.22 23.66 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.384 173.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 75.03 18.46 2.52 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.667 0.787 . . . . 0.0 112.313 173.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -95.72 92.8 6.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.14 79.31 2.29 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.323 0.582 . . . . 0.0 109.631 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -94.14 143.59 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.983 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 90.1 mm-40 -100.44 100.58 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.287 0.565 . . . . 0.0 109.825 -177.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.602 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -107.69 131.2 54.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.7 -174.488 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.403 ' O ' HG22 ' A' ' 106' ' ' ILE . 49.6 m-85 -128.4 125.92 39.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 99' ' ' ILE . 11.6 tt -80.37 89.59 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.73 0.776 . . . . 0.0 110.361 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.24 117.01 52.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.968 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.97 102.85 0.73 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -167.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -45.65 -29.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -170.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.734 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 5.2 p-10 -85.07 -11.25 55.72 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -145.31 154.9 42.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.303 0.573 . . . . 0.0 112.124 -172.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.09 128.69 48.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.217 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 9.2 tt -85.18 121.35 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.997 0.427 . . . . 0.0 110.543 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.336 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.567 ' SD ' ' NZ ' ' A' ' 60' ' ' LYS . 44.7 ttm -99.48 123.9 44.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.225 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.466 HD23 ' HG ' ' A' ' 62' ' ' LEU . 2.7 mm? -102.24 151.59 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.584 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -73.12 -43.4 61.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -145.18 175.97 9.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.98 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.98 16.32 15.78 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.714 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 m -63.88 -34.33 77.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.378 0.589 . . . . 0.0 110.805 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -108.86 18.0 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.42 80.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.377 -175.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -29.77 63.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.992 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.28 -53.46 43.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.219 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.603 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.4 tt -64.86 -38.67 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.24 -49.39 76.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.817 0.341 . . . . 0.0 110.251 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.494 ' HA ' HG22 ' A' ' 123' ' ' VAL . 15.4 t70 -60.89 -42.27 97.65 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.96 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -56.45 -42.25 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 78.4 mt -72.13 -43.43 64.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.512 -177.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 120' ' ' ASP . 18.6 m -75.39 -26.74 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 -177.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.7 m -81.95 -0.8 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.377 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.722 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 27.2 mm-40 -63.68 162.08 13.83 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.77 177.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.32 -34.69 48.14 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.837 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -87.36 -12.85 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.944 -177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 123' ' ' VAL . 55.8 m 54.28 76.83 0.22 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.139 0.495 . . . . 0.0 110.469 -175.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.18 128.68 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.74 148.21 26.48 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 64' ' ' MET . 20.5 t -126.57 121.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -176.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.4 p -98.71 113.02 24.92 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.086 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 133' ' ' LEU . 6.0 mp -86.64 151.11 23.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -177.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.573 ' HG3' ' HG3' ' A' ' 63' ' ' MET . 11.9 mm-40 -81.57 106.47 13.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.112 173.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.9 155.16 30.56 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.36 -0.447 . . . . 0.0 112.652 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -107.51 73.97 0.94 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.117 0.484 . . . . 0.0 110.028 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 137' ' ' MET . 3.8 mpp? -74.96 -45.54 41.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.677 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.505 ' H ' ' HD2' ' A' ' 139' ' ' PRO . 63.1 m-85 -93.83 -50.92 0.26 Allowed Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.216 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.505 ' HD2' ' H ' ' A' ' 138' ' ' TYR . 58.7 Cg_endo -71.61 -171.24 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 121.797 1.665 . . . . 0.0 111.697 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -172.72 73.07 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.504 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.938 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 66.8 t80 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.744 0.307 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 11' ' ' MET . 97.7 m-20 -57.27 -65.75 0.57 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.571 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -50.24 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.076 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -67.57 0.39 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.65 -44.55 81.58 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.405 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.477 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.8 ttm -69.5 -34.93 75.01 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.796 -175.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.17 86.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.172 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -60.4 -33.05 71.93 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.436 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.91 -43.21 55.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.504 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 94.0 mt -85.95 -0.83 56.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -177.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -47.78 -46.05 29.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.954 0.502 . . . . 0.0 110.878 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.68 -42.46 97.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.484 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 85.3 m95 -67.78 -42.26 81.93 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.134 0.493 . . . . 0.0 109.874 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.37 -36.97 85.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.275 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.13 -47.21 87.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.787 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.67 -51.43 68.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.411 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -59.42 -34.54 72.6 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.77 -43.56 54.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.796 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.9 pp -78.14 -21.87 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.65 -45.69 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.571 . . . . 0.0 109.628 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.31 177.586 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.4 tttp . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.521 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 8.4 tpp180 -53.65 113.57 5.06 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 59.5 Cg_endo -70.59 -20.4 30.97 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.408 2.072 . . . . 0.0 112.363 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 m -81.15 108.54 14.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.416 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -80.31 -48.29 1.27 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.694 175.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 3.9 Cg_exo -78.58 100.63 1.38 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.151 1.901 . . . . 0.0 111.339 174.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.95 -19.81 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.604 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 13.0 m-20 -51.04 -26.99 6.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.262 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -57.69 -54.05 51.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.72 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -81.65 -24.53 36.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.214 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.603 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 36.2 ttmt -64.85 -55.23 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.291 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.014 -179.292 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 108' ' ' MET . 1.7 pmm? -114.47 160.51 19.11 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.249 0.547 . . . . 0.0 110.972 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.5 mtt -108.16 122.09 46.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.919 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' HB2' ' OG1' ' A' ' 132' ' ' THR . 91.9 m-85 -80.98 101.05 9.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 130' ' ' GLU . 34.5 t -100.44 99.21 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.659 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 27.8 m -78.2 95.14 4.89 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.913 HG11 HG21 ' A' ' 80' ' ' ILE . 25.6 t -85.82 -60.8 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.729 -171.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.0 m -77.91 -70.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.17 -171.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.16 9.42 80.12 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -171.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.414 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 9.1 t30 -126.65 133.25 24.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 123.529 0.731 . . . . 0.0 109.43 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -42.01 -34.56 2.7 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.964 3.109 . . . . 0.0 115.301 -172.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.671 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 72.9 p -65.24 102.11 0.62 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.79 0.329 . . . . 0.0 111.482 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.64 -24.12 63.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.083 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.671 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.9 ptmm? -47.88 -48.41 31.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.445 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 75.9 mm-40 -56.85 -48.84 77.15 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.109 0.48 . . . . 0.0 110.622 -175.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.7 m -63.93 -43.71 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.821 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.42 -46.94 86.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.76 0.314 . . . . 0.0 110.362 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt-10 -56.9 -57.51 12.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.35 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.913 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -64.21 -37.52 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.218 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -69.13 -35.53 76.49 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.504 0.193 . . . . 0.0 111.045 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.7 p -73.27 -31.63 64.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 94.0 mt -63.78 -45.21 90.77 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -61.16 -45.42 94.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.245 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.64 -34.4 64.9 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.12 -65.4 2.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.78 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.7 m -52.43 -46.94 66.61 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.92 -54.04 50.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.963 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.45 -30.49 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.728 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.457 HD22 ' N ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -71.27 -27.15 63.24 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.27 13.8 16.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.872 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.8 m120 69.31 17.56 8.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.806 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -95.54 89.44 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.421 ' HB3' ' NH2' ' A' ' 110' ' ' ARG . 28.7 t70 -84.04 103.02 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.07 168.92 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.124 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 15.9 mm100 -100.56 133.79 44.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.477 ' NH1' ' HA ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -141.15 124.28 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -175.43 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -135.22 149.06 49.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.018 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 tt -108.03 90.4 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.48 0.657 . . . . 0.0 110.543 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 100' ' ' VAL . 16.7 m -116.57 108.82 26.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 105.07 2.71 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -167.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.6 m -40.47 -30.24 0.11 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -100.93 -22.66 14.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.767 0.318 . . . . 0.0 111.709 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.2 mmm-85 -97.38 112.4 24.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -170.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.14 116.07 31.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 106' ' ' ILE . 45.2 pt -96.4 121.16 46.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 111.31 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -102.82 102.3 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.339 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.487 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.4 ttm -87.58 120.37 28.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.829 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.3 mt -98.19 128.42 44.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.198 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 94' ' ' ASP . 37.5 ptt180 -86.84 -7.28 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 171.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -115.23 -169.61 1.6 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.292 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.17 -35.12 0.02 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.366 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.4 m -51.85 -45.21 63.94 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 117' ' ' GLU . 55.2 p90 -99.99 26.66 6.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.42 68.29 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 111.496 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -74.32 -21.8 59.54 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -70.21 -52.0 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 tt -65.68 -38.82 83.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.407 ' HZ2' HG12 ' A' ' 131' ' ' VAL . 24.5 ttmm -57.26 -41.73 80.21 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.159 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.3 -49.53 77.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.721 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.84 -37.03 63.19 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.085 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 86.0 mt -69.75 -54.35 14.12 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.918 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.1 m -75.98 -5.88 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.653 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.6 t -63.33 -13.01 34.34 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.657 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.645 HE22 HD11 ' A' ' 80' ' ' ILE . 80.4 mt-30 -79.74 153.88 28.94 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.709 0.29 . . . . 0.0 111.062 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -42.66 64.13 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.993 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 128' ' ' CYS . 19.1 mtp180 -67.07 -25.09 66.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -177.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 127' ' ' ARG . 42.7 t 71.0 -60.68 0.5 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 111.198 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.6 161.82 0.24 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.099 0.56 . . . . 0.0 111.611 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 16.0 tt0 -85.66 113.62 22.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.943 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.544 HG22 HG13 ' A' ' 66' ' ' VAL . 49.1 t -117.18 97.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 65' ' ' PHE . 25.0 p -107.61 160.15 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--O 1.235 0.322 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.764 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.457 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 10.5 t80 . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.716 0.294 . . . . 0.0 110.24 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -55.68 -70.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.624 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -62.05 -57.16 12.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.247 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -47.43 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 34.3 t70 -76.66 -47.82 20.93 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.758 -174.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.9 mmt -60.86 -32.64 72.06 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.91 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -63.71 -58.78 5.83 Favored 'General case' 0 C--O 1.226 -0.173 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 172.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -53.11 -27.54 21.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.78 -37.09 16.89 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.608 0.242 . . . . 0.0 111.136 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 18' ' ' TRP . 8.1 mp -110.52 25.95 11.21 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.954 0.354 . . . . 0.0 111.954 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ALA . 53.4 mt-10 -49.59 -22.83 1.4 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -52.38 -59.14 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.097 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.468 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 34.8 p-90 -68.83 -36.42 78.17 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.365 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.25 -62.37 1.89 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.303 0.573 . . . . 0.0 110.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' O ' HG13 ' A' ' 24' ' ' ILE . 38.4 ttmt -58.9 -47.65 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.302 -178.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.42 -39.04 82.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.24 -47.94 80.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.122 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.77 -37.49 84.5 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 20' ' ' LYS . 77.3 mt -64.92 -32.69 59.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -82.68 -26.18 32.31 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.987 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 120.987 0.423 . . . . 0.0 111.104 -177.446 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -49.34 106.09 0.59 Allowed Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -87.61 0.36 7.22 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.918 2.412 . . . . 0.0 113.17 -173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -70.9 109.01 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.507 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.582 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.66 -49.29 51.05 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 176.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 5.1 Cg_exo -74.84 107.06 2.39 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.1 1.867 . . . . 0.0 111.103 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.4 pt -70.41 -6.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.629 ' HA ' HD13 ' A' ' 44' ' ' LEU . 5.4 m-20 -48.96 -44.88 41.19 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.402 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -61.81 -51.08 69.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 m -76.86 -22.72 53.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.357 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -95.23 -43.31 8.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -177.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 40' ' ' ASP . 6.9 mp . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 C--O 1.232 0.143 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.4 mtm -126.37 129.2 48.33 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 120.955 0.407 . . . . 0.0 110.68 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.501 ' HG2' HD23 ' A' ' 133' ' ' LEU . 61.5 mtt -111.3 127.21 55.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.438 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.68 108.62 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.574 HG21 HD13 ' A' ' 122' ' ' LEU . 46.7 t -107.56 105.36 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.736 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 24.5 m -71.53 113.16 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 173.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.872 HG11 HG21 ' A' ' 80' ' ' ILE . 58.5 t -101.28 -60.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 111.096 -173.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -84.79 -46.1 11.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.032 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.21 -4.21 41.82 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.789 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.615 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.8 p-10 -127.25 161.54 53.66 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.615 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 33.3 Cg_endo -61.91 -17.06 53.49 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.382 2.721 . . . . 0.0 115.36 -170.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.417 HG23 ' HD3' ' A' ' 75' ' ' LYS . 23.2 m -63.08 90.65 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.508 0.671 . . . . 0.0 111.268 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -54.1 -25.01 19.73 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.063 -179.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.495 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 11.8 mptt -58.43 -54.59 45.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.012 -171.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.2 -40.88 97.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.781 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.2 m -65.24 -42.44 93.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.843 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.06 -45.35 85.71 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.131 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -57.67 -53.8 54.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.009 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.872 HG21 HG11 ' A' ' 68' ' ' VAL . 10.9 tp -62.62 -36.63 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.666 -176.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -63.79 -38.87 92.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 110.369 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.3 m -62.79 -41.96 99.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.527 HD12 HD12 ' A' ' 80' ' ' ILE . 75.0 mt -61.98 -43.76 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 178.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.513 ' NE1' ' NE2' ' A' ' 125' ' ' GLN . 13.6 m0 -60.88 -60.09 4.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.4 -27.78 64.6 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.41 63.74 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.765 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.473 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 20.4 m -81.81 -19.2 41.66 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.79 -48.52 10.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.139 0.495 . . . . 0.0 110.462 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.51 -26.43 62.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 35.7 p30 -71.51 -21.08 61.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.263 0.554 . . . . 0.0 110.082 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.01 6.93 47.73 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.947 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.0 m120 63.02 25.09 14.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.119 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -76.58 92.06 3.44 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.0 95.05 5.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.847 -174.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.468 ' HA ' ' HG3' ' A' ' 110' ' ' ARG . 27.4 m -133.74 162.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.708 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.732 HE21 ' HA ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -108.03 153.15 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.502 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -145.21 143.58 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.542 -174.102 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -141.51 148.73 39.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.6 tt -109.86 90.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.559 0.695 . . . . 0.0 109.566 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.0 m -118.38 110.46 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.439 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.32 101.03 1.67 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -169.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.5 m -53.45 -21.58 6.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -171.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.81 -26.12 61.39 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.939 0.4 . . . . 0.0 111.535 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 104' ' ' ARG . 11.2 ptp180 -139.23 175.6 9.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.44 0.638 . . . . 0.0 112.233 -168.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.14 142.83 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.785 172.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -111.09 133.01 58.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -115.44 118.67 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.379 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.481 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.1 mtt -94.7 97.45 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.5 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 109' ' ' LEU . 6.8 mp -71.67 129.37 38.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.653 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 88.3 mtt-85 -82.85 -6.64 59.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.203 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -149.74 177.24 9.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.372 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.47 22.16 4.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.018 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.7 m -81.12 -55.68 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.155 -175.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -100.51 21.58 13.05 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.312 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.36 -41.95 66.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.921 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -69.73 -31.07 68.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 0.0 110.227 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.61 -46.18 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.097 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.3 tt -65.23 -35.23 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 177.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -59.55 -50.31 74.4 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 123' ' ' VAL . 36.3 t70 -60.02 -36.64 77.67 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.375 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -61.02 -43.08 99.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.574 HD13 HG21 ' A' ' 66' ' ' VAL . 93.9 mt -62.57 -51.17 68.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' A' ' 120' ' ' ASP . 17.0 m -74.35 -17.16 16.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.619 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.84 -31.12 70.56 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.021 0.438 . . . . 0.0 110.003 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.513 ' NE2' ' NE1' ' A' ' 84' ' ' TRP . 24.9 mt-30 -86.98 135.03 33.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.031 177.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.67 -18.63 65.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.242 -171.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -76.9 -4.33 43.28 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.4 t -77.96 100.96 6.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.68 14.13 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.736 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 33.8 tt0 -151.2 119.32 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 -175.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.503 HG23 HG22 ' A' ' 66' ' ' VAL . 7.3 p -111.19 125.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 0.0 110.264 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.8 p -140.8 157.27 45.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.898 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' A' ' 64' ' ' MET . 53.5 mt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 4.8 p90 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.628 ' O ' ' HB3' ' A' ' 11' ' ' MET . 28.6 m-80 -56.01 -73.17 0.06 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.17 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -65.26 -65.57 0.66 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.857 0.361 . . . . 0.0 111.897 -173.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 33.4 t70 -69.91 -37.94 76.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.63 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.628 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 47.6 ttm -74.82 -37.01 62.43 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.937 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.36 82.57 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.136 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 62.2 mtm180 -63.13 -50.08 71.88 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.186 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.99 -51.86 64.89 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.14 -28.93 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.38 -42.64 96.05 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 16.5 mm100 -63.37 -51.21 66.85 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.03 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -60.06 -41.67 92.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.81 -43.74 95.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.917 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.658 ' O ' HG12 ' A' ' 24' ' ' ILE . 24.9 ttpp -54.54 -55.12 32.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.82 -46.05 83.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.88 -30.64 66.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.746 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.3 -38.19 24.69 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 20' ' ' LYS . 37.2 pt -89.3 -7.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.636 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -102.43 -41.42 6.31 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.461 0.172 . . . . 0.0 110.699 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.688 0.28 . . . . 0.0 110.267 -179.277 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.603 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -79.89 111.72 23.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.488 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 61.9 Cg_endo -87.99 1.78 6.63 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.202 2.601 . . . . 0.0 111.929 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -69.17 113.65 6.72 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.876 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -72.11 -34.78 3.04 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.563 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 17.1 Cg_exo -70.03 51.87 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.466 2.111 . . . . 0.0 113.035 175.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.6 -25.64 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 110.76 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.21 -40.46 64.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.675 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -67.45 -29.18 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -76.98 -33.74 57.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -78.49 -48.23 15.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.413 179.73 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 62' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.238 0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.45 ' HG2' HD11 ' A' ' 106' ' ' ILE . 2.4 mpp? -122.58 151.66 41.2 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.325 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.582 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 59.2 mtt -114.6 121.52 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.92 171.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -91.1 128.35 36.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.109 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.469 HG13 HG22 ' A' ' 131' ' ' VAL . 51.7 t -127.34 101.8 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.783 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 26.1 m -74.49 113.87 12.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.784 HG11 HG21 ' A' ' 80' ' ' ILE . 62.6 t -101.1 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.124 -173.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.458 ' OG ' ' HB2' ' A' ' 76' ' ' GLU . 18.1 m -78.51 -45.29 22.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -175.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' N ' ' HB2' ' A' ' 103' ' ' ASP . . . 76.47 -10.06 18.67 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.896 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.595 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.0 p-10 -125.65 162.23 46.1 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.595 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 18.3 Cg_endo -57.3 -18.73 31.78 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.168 2.579 . . . . 0.0 114.89 -169.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -62.14 99.88 0.15 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.65 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.517 ' HB2' ' OG ' ' A' ' 102' ' ' SER . 43.4 tt0 -67.67 -21.19 65.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.479 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.623 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -62.75 -44.22 96.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.797 -173.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.458 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.4 mm-40 -60.44 -51.43 69.53 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.85 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -59.5 -39.84 85.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.732 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -46.53 87.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.626 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 58.0 mm-40 -60.2 -52.3 65.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.293 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.784 HG21 HG11 ' A' ' 68' ' ' VAL . 11.1 tp -63.09 -36.58 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.743 -176.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -66.49 -43.26 85.83 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.474 ' HA ' HE21 ' A' ' 85' ' ' GLN . 5.5 p -64.67 -42.86 95.07 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.836 0.351 . . . . 0.0 110.504 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.9 mt -57.22 -44.2 83.51 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.286 176.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.404 ' O ' HD13 ' A' ' 88' ' ' LEU . 24.5 m0 -66.64 -52.14 48.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.698 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.474 HE21 ' HA ' ' A' ' 82' ' ' SER . 28.4 pt20 -59.75 -26.59 65.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.336 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.25 -61.68 3.59 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.018 172.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.3 m -57.35 -48.67 78.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.648 0.379 . . . . 0.0 111.911 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 84' ' ' TRP . 11.0 mp -59.85 -43.67 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -177.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -72.25 -20.95 61.46 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.442 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -26.93 67.18 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 170.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.48 10.01 36.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.557 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.3 t30 65.88 24.36 11.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.521 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -75.01 92.74 2.63 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.11 -0.369 . . . . 0.0 110.077 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.84 88.71 2.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.099 0.476 . . . . 0.0 109.936 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.9 t -129.94 150.94 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -100.39 139.79 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.615 ' HD3' ' N ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -130.22 121.76 26.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.257 -173.139 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -125.36 159.59 31.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 99' ' ' ILE . 14.8 tt -119.71 89.35 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.796 0.808 . . . . 0.0 110.951 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.6 m -108.0 114.52 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.935 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.1 102.73 2.48 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -169.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 74' ' ' GLU . 7.5 t -49.73 -22.6 1.44 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.41 ' HB2' ' N ' ' A' ' 70' ' ' GLY . 14.8 p-10 -101.26 0.88 38.17 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -146.93 162.68 38.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.119 0.485 . . . . 0.0 111.834 -171.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.3 160.4 29.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.634 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.45 HD11 ' HG2' ' A' ' 63' ' ' MET . 10.5 tt -132.79 121.05 43.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.001 0.429 . . . . 0.0 110.729 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.52 113.72 27.4 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 52.5 ttp -96.13 115.67 27.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 118' ' ' ILE . 6.3 mp -92.01 139.42 30.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.295 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -78.08 -37.52 46.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.1 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.74 146.6 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.211 175.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.89 31.97 6.48 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.606 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -63.63 -55.21 25.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.949 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -102.3 28.36 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.02 75.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.613 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -73.31 -33.97 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.62 -53.04 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.518 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 109' ' ' LEU . 11.3 tt -61.52 -38.23 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.86 -45.85 91.16 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.411 ' HA ' HG22 ' A' ' 123' ' ' VAL . 25.6 t70 -61.77 -40.75 96.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.33 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.77 -47.79 83.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.238 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 95.8 mt -61.62 -42.88 99.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.397 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 120' ' ' ASP . 25.1 m -76.21 -24.71 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.463 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 t -70.54 -26.27 63.48 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.778 0.323 . . . . 0.0 110.397 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.56 ' HB2' ' SG ' ' A' ' 128' ' ' CYS . 14.1 mm100 -59.93 130.31 46.13 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.244 0.545 . . . . 0.0 111.084 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.0 -26.78 62.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.972 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -85.29 -3.48 58.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.364 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 125' ' ' GLN . 77.9 m -85.59 118.66 25.24 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.01 -51.59 6.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.579 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 40.4 mt-10 -130.74 131.04 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.21 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 66' ' ' VAL . 61.3 t -131.82 115.75 28.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.3 m -149.11 129.44 13.77 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.891 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.582 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.3 pp . . . . . 0 C--O 1.235 0.332 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.466 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.706 0.289 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' A' ' 11' ' ' MET . 14.1 m120 -56.27 -59.21 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 15.5 t70 -52.44 -63.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.908 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.608 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -52.59 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.002 0.43 . . . . 0.0 110.987 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.42 -60.71 3.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.401 -173.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.534 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.8 ttm -69.18 -43.1 74.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -170.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.63 -41.67 68.55 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.504 -177.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.0 mmt180 -75.22 -11.52 60.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.18 -53.12 8.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.432 166.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? -138.26 66.54 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.602 0.715 . . . . 0.0 111.276 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ALA . 31.0 tt0 -58.13 -10.27 1.83 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.719 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -39.42 -47.59 1.82 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -69.94 -40.22 75.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.498 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.77 -49.63 75.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' O ' HG13 ' A' ' 24' ' ' ILE . 88.5 tttt -60.97 -49.2 78.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.808 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.2 -54.06 50.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.009 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.68 -31.88 72.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.31 -42.51 83.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.517 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 20' ' ' LYS . 80.2 mt -65.48 -48.0 84.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -59.57 -37.2 77.83 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.136 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.117 179.85 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 1.7 tpmt? . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.74 0.305 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 5.8 ppt_? -70.49 144.95 92.26 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.473 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 4.5 Cg_exo -81.4 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.489 2.126 . . . . 0.0 111.734 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -87.43 133.25 33.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.52 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -79.31 -49.05 1.47 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.215 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.8 Cg_exo -76.13 86.6 1.51 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.319 2.013 . . . . 0.0 112.065 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.4 pt -99.33 3.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.39 -54.01 30.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.481 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -59.53 -40.97 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -69.11 -33.35 73.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -76.7 -40.83 47.52 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.995 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.466 0.34 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.026 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 63' ' ' MET . 2.5 mpp? -126.81 113.0 16.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.417 ' HB3' ' HG ' ' A' ' 133' ' ' LEU . 18.2 ptp -107.76 125.06 50.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 0.0 111.121 -176.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -89.69 117.04 28.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.985 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG21 HD13 ' A' ' 122' ' ' LEU . 21.9 t -98.26 111.52 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.519 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 m -78.25 100.21 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 80' ' ' ILE . 21.5 t -102.15 -61.38 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -171.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.557 ' HB2' ' OD1' ' A' ' 71' ' ' ASN . 81.1 p -83.29 -66.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.782 -167.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.54 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 90.04 10.11 64.88 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -174.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.557 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 2.9 p-10 -126.61 145.21 52.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -67.1 -28.44 41.03 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.111 2.541 . . . . 0.0 112.88 -174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 10.5 p -63.43 117.5 6.78 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.1 0.476 . . . . 0.0 110.835 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 74' ' ' GLU . 2.5 mp0 -64.62 -33.27 75.55 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.826 -173.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.1 ptmm? -37.8 -48.41 1.1 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.823 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.57 -56.66 14.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.93 0.395 . . . . 0.0 111.082 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.493 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.0 t -65.31 -30.87 71.77 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.386 -177.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.97 -52.24 66.25 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 25.3 mm-40 -59.98 -58.63 7.72 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.992 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.694 HG21 HG11 ' A' ' 68' ' ' VAL . 8.9 tp -60.06 -43.87 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.49 -173.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 m -67.63 -30.9 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.525 0.203 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.1 t -64.73 -44.44 90.16 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 79' ' ' GLU . 4.5 mm? -60.61 -48.65 80.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.465 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 25.8 m0 -60.32 -41.54 93.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.486 177.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -51.96 62.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.912 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.65 76.28 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.05 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.6 t -59.11 -47.19 86.17 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.721 0.296 . . . . 0.0 111.2 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 85.1 mt -66.81 -40.23 87.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.809 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.49 -25.8 64.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.567 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.23 -35.88 68.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.65 -3.69 42.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.593 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 67.1 27.03 8.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.366 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -70.3 128.14 35.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.321 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.5 73.68 4.07 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.604 0.716 . . . . 0.0 109.281 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.6 HG12 ' HG ' ' A' ' 109' ' ' LEU . 35.4 m -125.84 157.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.757 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.551 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 25.2 mm-40 -125.26 145.58 49.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 177.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.779 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -121.69 129.27 52.63 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.534 ' HB2' HG23 ' A' ' 106' ' ' ILE . 97.2 m-85 -137.76 146.62 43.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 0.0 110.239 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -110.84 124.59 67.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.438 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 100' ' ' VAL . 3.7 p -151.26 101.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.62 101.22 0.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -170.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.472 ' HA ' HG21 ' A' ' 77' ' ' THR . 45.1 t -47.64 -31.54 4.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -170.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.54 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 3.5 m-20 -52.08 -37.17 53.01 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.934 0.397 . . . . 0.0 111.453 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -139.34 138.67 36.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.585 -173.706 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.07 140.8 39.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 98' ' ' PHE . 6.8 tt -100.6 125.5 54.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 110.876 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -107.85 113.32 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.578 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.551 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 62.2 mtt -93.45 135.45 34.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.336 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.6 ' HG ' HG12 ' A' ' 95' ' ' VAL . 6.0 mp -127.16 122.53 34.39 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -76.85 -30.35 56.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.364 0.602 . . . . 0.0 109.541 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.64 138.08 54.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.23 -0.896 . . . . 0.0 108.892 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.16 21.8 8.68 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.808 -172.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.0 p -66.73 -36.69 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.631 0.716 . . . . 0.0 110.019 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -98.26 19.45 14.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.927 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.91 66.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 111.349 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -77.51 -30.76 53.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.581 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.74 -46.93 62.11 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.582 HG21 HD21 ' A' ' 109' ' ' LEU . 11.7 tt -67.81 -41.53 85.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.326 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.75 -43.15 94.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.993 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.538 ' HA ' HG22 ' A' ' 123' ' ' VAL . 31.4 t70 -58.94 -47.32 85.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.025 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -54.22 -42.89 70.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.66 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.489 HD13 HG21 ' A' ' 66' ' ' VAL . 89.4 mt -69.23 -43.27 74.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.284 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 120' ' ' ASP . 24.5 m -79.44 -8.79 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 m -74.82 -4.72 39.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.41 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.52 ' HG3' ' H ' ' A' ' 128' ' ' CYS . 6.4 tp-100 -59.73 117.64 5.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 110.077 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.68 -22.14 47.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.311 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -76.24 -47.66 23.11 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.935 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.52 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 16.5 p 166.68 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.427 0.691 . . . . 0.0 109.685 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -173.15 156.94 3.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 111.475 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -160.37 132.43 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 172.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 66' ' ' VAL . 50.0 t -118.69 106.9 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 -173.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.7 m -99.64 126.24 45.61 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.417 ' HG ' ' HB3' ' A' ' 64' ' ' MET . 6.8 mp . . . . . 0 N--CA 1.467 0.384 0 CA-C-O 121.021 0.438 . . . . 0.0 112.057 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 . . . . . 0 C--O 1.23 0.051 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.538 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.2 m-20 -55.34 -50.23 70.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.826 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -50.22 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.622 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -55.17 38.5 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.743 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.26 -55.19 9.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.619 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 15.1 mmt -62.8 -37.38 86.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.386 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -60.88 -64.37 0.98 Allowed 'General case' 0 CA--C 1.526 0.039 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.174 176.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 26.1 mmt180 -66.21 -14.35 61.77 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -173.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' HB3' HD23 ' A' ' 15' ' ' LEU . 56.4 tp -85.35 -53.18 5.38 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.123 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -127.62 38.1 4.1 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.091 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 11.8 pt-20 -58.98 -4.43 0.47 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -46.79 -54.47 9.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.945 0.498 . . . . 0.0 111.205 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -69.86 -32.67 71.17 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.94 -60.97 2.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.607 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' ILE . 14.8 ptmm? -63.26 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.32 -51.87 65.93 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.285 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -34.44 77.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.827 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -23.37 61.85 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 20' ' ' LYS . 83.1 mt -82.82 -35.52 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.031 0.443 . . . . 0.0 110.36 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.86 -39.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.987 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 87.1 tttt . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.541 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -50.35 112.07 2.57 Favored Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.715 0.406 . . . . 0.0 110.504 175.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.8 -41.31 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.177 1.918 . . . . 0.0 112.164 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 p -115.48 138.72 50.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.971 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -83.2 -50.84 0.68 Allowed Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 173.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.7 Cg_exo -76.44 108.37 2.65 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.222 1.948 . . . . 0.0 111.671 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.6 pt -66.72 -21.41 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HD13 ' A' ' 44' ' ' LEU . 31.9 t70 -50.89 -59.87 3.67 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 90.3 m-85 -62.38 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.502 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 t -61.4 -43.5 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -74.82 -31.29 61.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.646 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 40' ' ' ASP . 10.1 mp . . . . . 0 N--CA 1.466 0.339 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 172.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 63' ' ' MET . 1.3 tm? . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.592 ' N ' HD13 ' A' ' 62' ' ' LEU . 21.7 ptm -146.44 142.33 28.03 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.404 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 52.1 mtt -123.5 123.94 41.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.23 -172.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -90.9 96.51 10.67 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.525 HG21 HD13 ' A' ' 122' ' ' LEU . 16.4 t -90.67 104.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.603 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 m -76.28 97.19 4.12 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.781 HG11 HG21 ' A' ' 80' ' ' ILE . 24.1 t -101.64 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.186 -173.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 25.4 t -63.81 -67.01 0.46 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.825 -173.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.477 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 75.08 -1.36 55.93 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.833 -175.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.4 HD21 ' HG3' ' A' ' 76' ' ' GLU . 1.7 p-10 -126.14 151.81 72.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 122.775 0.43 . . . . 0.0 109.861 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.74 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.275 2.65 . . . . 0.0 113.64 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.4 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 5.9 p -59.3 97.07 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.356 0.598 . . . . 0.0 111.103 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.4 -27.22 14.92 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.308 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.554 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 3.8 mptp? -45.57 -41.17 9.63 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.563 0.54 . . . . 0.0 111.304 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.4 ' HG3' HD21 ' A' ' 71' ' ' ASN . 8.1 mm-40 -58.53 -60.11 4.31 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.215 -177.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.426 ' HA ' HG22 ' A' ' 80' ' ' ILE . 13.6 t -68.16 -36.09 79.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -176.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.52 -58.19 9.67 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.402 0.62 . . . . 0.0 110.326 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.5 ' O ' HD13 ' A' ' 83' ' ' LEU . 44.6 mt-10 -62.4 -45.38 93.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.109 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.781 HG21 HG11 ' A' ' 68' ' ' VAL . 9.7 tp -62.24 -38.69 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.664 -177.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.3 m -65.51 -35.26 80.34 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.2 m -63.17 -41.78 99.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 79' ' ' GLU . 9.6 mp -63.11 -47.59 82.15 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.468 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 22.9 m0 -61.39 -41.19 96.73 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.89 -51.83 59.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.063 177.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.27 52.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.025 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 m -58.64 -48.39 81.18 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 88.0 mt -64.67 -39.06 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.84 -9.96 59.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.512 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -37.5 64.05 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 172.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.9 2.24 56.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.597 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t30 57.99 62.65 1.99 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.737 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -93.45 99.42 11.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.681 ' HB2' ' HE ' ' A' ' 110' ' ' ARG . 4.8 m-20 -65.27 82.49 0.05 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 m -125.32 157.76 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.656 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.748 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 45.8 mt-30 -102.01 151.63 21.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.98 122.42 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.02 -177.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -137.72 158.97 43.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -111.48 108.97 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.586 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.73 116.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.54 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.404 ' HA3' HH11 ' A' ' 104' ' ' ARG . . . 77.02 102.6 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -173.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 m -43.8 -26.51 0.26 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.477 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 8.5 m-20 -66.04 -41.97 90.17 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.572 ' H ' ' HD2' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -128.06 160.84 30.73 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.505 0.669 . . . . 0.0 112.205 -170.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.15 148.46 44.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.836 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.823 HG13 ' SD ' ' A' ' 108' ' ' MET . 6.5 tp -111.38 122.96 66.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.11 0.481 . . . . 0.0 111.246 -175.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.1 134.67 53.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.168 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.823 ' SD ' HG13 ' A' ' 106' ' ' ILE . 3.3 mpp? -116.24 123.19 47.11 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.526 0.33 . . . . 0.0 110.532 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.1 mt -102.68 122.27 44.1 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.363 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.681 ' HE ' ' HB2' ' A' ' 94' ' ' ASP . 13.3 ptt180 -80.03 -22.98 41.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.38 142.87 50.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.754 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.95 5.32 32.25 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.404 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 m -67.47 -20.17 65.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.236 0.518 . . . . 0.0 110.964 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.426 ' O ' HG22 ' A' ' 118' ' ' ILE . 45.8 p90 -124.13 27.87 6.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.82 -60.53 3.56 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.378 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.503 ' HE3' ' HA ' ' A' ' 116' ' ' TRP . 1.4 m95 -70.53 -26.27 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.383 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.38 -57.37 12.54 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.627 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.497 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -64.75 -33.43 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.156 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -54.03 -52.11 61.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.48 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.661 ' HA ' HG22 ' A' ' 123' ' ' VAL . 7.2 m-20 -66.85 -38.4 86.3 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.579 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -55.13 -40.04 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.395 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.525 HD13 HG21 ' A' ' 66' ' ' VAL . 92.5 mt -72.89 -52.25 15.45 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.265 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 120' ' ' ASP . 20.9 m -68.46 -16.41 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.744 0.307 . . . . 0.0 111.734 -175.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -74.89 -0.58 18.99 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.609 ' NE2' HD11 ' A' ' 80' ' ' ILE . 6.4 tp-100 -63.36 156.66 25.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.1 -47.55 74.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.552 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 68' ' ' VAL . 30.2 ttm180 -82.77 2.35 34.39 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.684 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m 69.6 -67.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.598 0.759 . . . . 0.0 111.278 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.67 119.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.564 0.54 . . . . 0.0 111.575 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -79.64 113.13 17.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.984 0.421 . . . . 0.0 110.34 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 66' ' ' VAL . 7.7 p -92.01 119.37 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 110.97 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.2 m -107.11 108.99 20.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.4 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.511 HD23 HD11 ' A' ' 62' ' ' LEU . 3.9 mp . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -173.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.792 0.33 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.557 ' O ' ' HB2' ' A' ' 11' ' ' MET . 32.3 m-80 -58.32 -52.6 64.93 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.904 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.13 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -58.42 6.46 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.06 -173.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.35 -44.44 75.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.866 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 22.9 mmt -70.78 -37.71 73.37 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.188 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.04 -57.5 12.29 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -50.63 -48.13 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.004 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -56.26 -45.97 79.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 11' ' ' MET . 4.6 mm? -78.41 -19.39 53.36 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.83 -177.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 48.8 mt-10 -81.1 -40.64 23.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.431 0.158 . . . . 0.0 110.716 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.557 HE21 ' HA ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -52.55 -73.64 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.849 -176.243 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -51.71 -36.68 47.73 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.676 0.274 . . . . 0.0 111.139 -174.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.66 -65.48 0.67 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.05 0.452 . . . . 0.0 110.916 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 22.7 pttp -71.23 -39.81 71.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.055 -174.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.4 -35.83 78.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.527 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.49 -34.12 58.65 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.21 -41.26 96.53 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.539 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.0 mt -75.93 -42.18 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.173 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.36 -63.11 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 -177.68 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tptt . . . . . 0 C--O 1.234 0.263 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -59.14 130.58 86.92 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.677 175.268 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -57.07 -49.43 14.25 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.875 2.384 . . . . 0.0 112.434 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.526 ' O ' ' HD3' ' A' ' 34' ' ' ARG . 39.8 t -69.71 108.93 4.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.372 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.39 -48.54 0.16 Allowed Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 91.7 Cg_endo -78.69 48.84 2.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 122.388 2.059 . . . . 0.0 113.383 -173.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.44 HD11 ' NH1' ' A' ' 34' ' ' ARG . 59.8 mt -53.84 -55.66 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -55.35 -45.54 76.46 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.474 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 38' ' ' PRO . 89.8 m-85 -59.7 -36.94 77.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -68.73 -30.61 69.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.499 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -68.37 -39.43 81.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.235 0.33 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.161 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.233 0.196 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.3 mtp -121.2 140.79 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 63.6 mtt -126.72 120.78 30.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.794 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CZ ' HD12 ' A' ' 106' ' ' ILE . 76.6 m-85 -95.86 126.52 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 171.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.774 HG21 HD13 ' A' ' 122' ' ' LEU . 45.2 t -127.89 118.91 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.497 0.189 . . . . 0.0 110.708 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 129' ' ' ALA . 5.5 t -79.1 100.79 7.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.326 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 69' ' ' SER . 4.0 p -101.0 -57.55 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.492 -168.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.469 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 55.8 p -70.81 -62.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 111.3 -171.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.22 5.38 81.16 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.09 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.436 HD21 ' HB2' ' A' ' 76' ' ' GLU . 3.9 p-10 -125.85 146.98 57.17 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.22 -38.75 73.97 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.056 2.504 . . . . 0.0 113.369 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -67.3 118.27 10.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 111.388 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 77' ' ' THR . 12.4 pt-20 -75.2 -20.97 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -172.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.594 ' HD3' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -52.98 -37.13 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.357 178.601 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.594 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 12.8 mm-40 -65.4 -52.39 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.427 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 74' ' ' GLU . 15.3 t -63.41 -33.55 75.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.763 0.316 . . . . 0.0 110.277 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.46 -50.65 66.68 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.21 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 62.8 mm-40 -58.1 -55.97 28.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.413 HG12 HE22 ' A' ' 125' ' ' GLN . 9.3 tp -66.61 -39.17 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -174.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.5 m -67.45 -35.24 78.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.577 0.227 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.6 p -70.19 -37.15 75.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.022 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 96.6 mt -61.74 -44.77 96.27 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 110.029 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.59 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.6 m0 -56.94 -56.16 25.29 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.235 175.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.458 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 8.8 tt0 -47.02 -53.81 11.66 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.646 0.591 . . . . 0.0 110.583 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.41 -52.96 44.19 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.21 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 m -57.23 -39.58 75.82 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.646 0.26 . . . . 0.0 111.276 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 80.4 mt -64.4 -39.58 94.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.019 0.438 . . . . 0.0 110.779 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.458 ' HD1' ' O ' ' A' ' 85' ' ' GLN . 47.0 m-85 -78.4 -26.84 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -75.15 -26.88 59.47 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.47 5.86 22.34 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 65.99 19.61 11.23 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.079 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -66.63 -59.07 3.94 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.558 ' HB3' HH12 ' A' ' 110' ' ' ARG . 28.1 t70 64.12 103.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 -171.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 166.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.055 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.67 ' HB3' ' HB3' ' A' ' 108' ' ' MET . 48.0 tp60 -100.02 138.16 37.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.632 ' HD3' ' N ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -134.76 141.13 46.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 111.275 -168.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.481 ' HB2' HG23 ' A' ' 106' ' ' ILE . 59.8 m-85 -141.33 157.65 44.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.208 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -121.11 90.16 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 109.946 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 100' ' ' VAL . 18.8 m -108.88 99.91 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.919 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.64 103.23 0.99 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 p -44.09 -33.27 1.42 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.44 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 13.5 t70 -63.08 -37.66 88.11 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.059 0.457 . . . . 0.0 111.917 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 104' ' ' ARG . 10.2 ptm180 -129.38 125.8 37.43 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.255 0.55 . . . . 0.0 111.928 -169.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.05 163.58 13.6 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 98' ' ' PHE . 3.3 tt -138.31 140.05 40.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.473 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -125.99 162.59 24.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.67 ' HB3' ' HB3' ' A' ' 96' ' ' GLN . 51.2 ttm -135.43 119.34 17.38 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 118' ' ' ILE . 5.4 mp -103.67 164.42 11.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.734 -174.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.558 HH12 ' HB3' ' A' ' 94' ' ' ASP . 85.6 mtm-85 -87.72 -55.48 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.682 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -135.44 162.59 32.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.043 0.449 . . . . 0.0 111.079 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.56 ' HA2' ' HB2' ' A' ' 115' ' ' ALA . . . -76.6 -2.42 75.23 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.654 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -52.01 -29.96 23.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.97 0.508 . . . . 0.0 111.815 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.479 ' O ' HG22 ' A' ' 118' ' ' ILE . 35.8 p90 -129.04 12.25 6.12 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.56 ' HB2' ' HA2' ' A' ' 112' ' ' GLY . . . -59.04 -49.9 76.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.492 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -74.22 -26.59 60.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.038 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.83 -49.5 37.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.154 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.674 HG21 HD21 ' A' ' 109' ' ' LEU . 11.7 tt -65.32 -42.31 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.23 -40.74 86.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.9 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.47 -51.66 68.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.85 -38.55 61.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.774 HD13 HG21 ' A' ' 66' ' ' VAL . 81.8 mt -72.58 -53.02 13.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.331 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 129' ' ' ALA . 32.8 m -71.49 -19.92 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.6 m -79.44 -0.72 34.17 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.611 ' HG2' ' H ' ' A' ' 127' ' ' ARG . 36.1 tt0 -66.09 145.73 55.5 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.033 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.68 -19.33 62.22 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.098 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.611 ' H ' ' HG2' ' A' ' 125' ' ' GLN . 71.8 mtt-85 -83.21 7.33 16.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 37.6 m 58.21 43.34 20.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.113 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 123' ' ' VAL . . . -61.86 98.99 0.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.055 -177.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.64 141.31 36.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.144 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.2 p -102.85 155.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.5 m -140.04 120.09 13.67 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.938 0.399 . . . . 0.0 110.291 -177.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.698 0.285 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -57.11 -65.57 0.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.445 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -54.52 -58.5 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.283 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -62.01 -63.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.786 -174.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 34.6 t70 -63.3 -47.07 83.8 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.758 0.314 . . . . 0.0 111.389 -172.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.401 ' O ' HD23 ' A' ' 15' ' ' LEU . 40.2 ttm -66.96 -36.14 81.53 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.382 -176.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 16' ' ' GLU . . . -62.58 -49.91 73.38 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 14.9 mmp_? -56.96 -26.95 60.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.25 -49.54 13.54 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.411 HD12 ' NE1' ' A' ' 18' ' ' TRP . 4.0 mm? -85.09 7.56 21.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -174.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 34.7 mm-40 -48.36 -28.82 3.43 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.741 0.305 . . . . 0.0 110.786 173.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -47.78 -46.89 30.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.79 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.411 ' NE1' HD12 ' A' ' 15' ' ' LEU . 14.7 m95 -67.81 -41.11 83.6 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.427 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.86 -41.05 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.7 tttt -63.36 -45.52 90.79 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 25.1 t70 -56.93 -46.08 82.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.111 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.64 -44.22 89.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.833 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.57 -36.93 84.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.029 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.7 mt -70.79 -35.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 47.4 mm-40 -70.68 -50.86 32.06 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.34 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -174.583 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.696 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 110.977 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -86.91 113.62 54.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.033 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.21 -45.52 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.961 1.774 . . . . 0.0 110.008 170.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -132.47 111.07 10.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.938 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.671 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -86.5 -52.04 0.45 Allowed Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.489 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.671 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 16.1 Cg_exo -69.7 124.12 10.8 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.232 1.954 . . . . 0.0 111.567 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.1 tt -60.25 -17.04 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.384 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.92 -41.73 58.91 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -62.91 -37.81 88.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.736 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -75.73 -30.0 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -74.76 -50.48 17.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 -178.349 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.44 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 109' ' ' LEU . 1.4 tt . . . . . 0 C--O 1.237 0.401 0 CA-C-O 121.195 0.521 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.567 ' SD ' HD11 ' A' ' 106' ' ' ILE . 53.8 mtm -131.83 130.55 41.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.351 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.429 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 63.6 mtt -108.05 118.59 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.881 0.372 . . . . 0.0 110.266 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -93.77 106.54 18.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.013 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 131' ' ' VAL . 35.7 t -97.27 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.571 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.0 m -72.77 91.65 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.754 HG11 HG21 ' A' ' 80' ' ' ILE . 57.7 t -81.75 -60.49 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.996 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.485 ' OG ' ' HA ' ' A' ' 103' ' ' ASP . 37.3 p -91.79 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.146 0.498 . . . . 0.0 111.707 -172.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 88.65 -0.95 83.37 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -173.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.589 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.4 p-10 -126.34 159.64 61.82 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 123.089 0.556 . . . . 0.0 109.531 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.589 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 38.7 Cg_endo -64.36 -23.84 65.05 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.79 2.327 . . . . 0.0 114.317 -167.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.54 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 80.9 p -64.63 96.6 0.18 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.09 0.472 . . . . 0.0 110.892 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.08 -20.21 63.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.98 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -40.7 -56.17 2.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.291 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.45 -58.61 6.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.343 -176.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m -63.48 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.461 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.95 -51.12 63.58 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.001 0.429 . . . . 0.0 110.37 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 83' ' ' LEU . 22.6 mm-40 -58.01 -53.15 61.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.924 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.754 HG21 HG11 ' A' ' 68' ' ' VAL . 9.7 tp -61.49 -37.28 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.676 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.1 m -64.51 -30.81 71.84 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.554 175.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 85' ' ' GLN . 39.9 m -70.7 -40.93 72.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.488 176.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.51 -47.56 85.6 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -63.65 -34.85 78.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.445 ' HB3' ' O ' ' A' ' 82' ' ' SER . 28.4 tt0 -54.21 -62.58 1.56 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.05 -51.29 56.58 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.251 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 m -59.51 -50.34 74.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.82 -47.15 72.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.591 0.234 . . . . 0.0 111.096 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -70.48 -28.34 64.91 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.414 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.41 -31.16 70.31 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.02 9.72 11.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.71 22.14 10.44 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.337 0.655 . . . . 0.0 112.228 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -79.94 89.62 5.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 173.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.526 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 35.8 m-20 -72.82 79.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.89 -179.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.123 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -121.17 154.31 36.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.84 130.13 19.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.064 0.459 . . . . 0.0 110.118 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.476 ' HB2' HG23 ' A' ' 106' ' ' ILE . 57.1 m-85 -131.83 159.68 37.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 102' ' ' SER . 13.2 tt -125.39 89.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.75 0.786 . . . . 0.0 110.782 177.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 100' ' ' VAL . 16.9 m -99.57 100.16 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.952 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.66 103.83 1.7 Allowed Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -169.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.461 ' HA ' HD11 ' A' ' 99' ' ' ILE . 24.3 m -54.84 -7.94 0.22 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -173.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.485 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 3.8 p-10 -91.72 -29.65 16.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.565 0.221 . . . . 0.0 111.172 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -124.32 124.87 43.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.137 0.494 . . . . 0.0 111.646 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.92 127.15 43.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.968 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.567 HD11 ' SD ' ' A' ' 63' ' ' MET . 2.4 tt -99.95 112.82 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.796 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -100.87 120.18 39.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.203 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 50.5 ttm -91.92 132.24 36.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 62' ' ' LEU . 7.8 mp -98.3 165.38 11.89 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.526 ' NH1' ' HB2' ' A' ' 94' ' ' ASP . 40.3 ttt180 -91.12 -32.12 15.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.915 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -164.45 166.06 20.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.493 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.27 -11.59 69.11 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.706 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -56.62 -28.03 59.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.978 0.389 . . . . 0.0 112.018 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -118.84 25.64 10.08 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.498 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 -50.78 72.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.408 ' N ' ' HE3' ' A' ' 116' ' ' TRP . 0.3 OUTLIER -66.32 -31.06 71.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 178.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.62 -51.82 60.69 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.569 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.2 tt -69.43 -40.56 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.433 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HD2' HD11 ' A' ' 133' ' ' LEU . 64.7 tttp -60.2 -41.81 93.77 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.997 0.427 . . . . 0.0 110.433 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.549 ' HA ' HG22 ' A' ' 123' ' ' VAL . 24.1 t70 -64.7 -44.96 88.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.703 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -55.95 -40.5 73.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.554 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 96.8 mt -67.26 -42.4 83.95 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 120' ' ' ASP . 20.0 m -79.19 -8.87 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.157 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.7 m -62.57 -15.09 49.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.968 0.413 . . . . 0.0 110.588 172.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.05 133.33 55.99 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.056 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -53.45 -46.36 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 84.9 mtm-85 -87.45 38.54 0.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.533 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.8 p -47.29 110.27 0.29 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.695 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.02 -158.32 0.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.126 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -79.76 117.7 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.214 0.53 . . . . 0.0 112.135 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 66' ' ' VAL . 60.9 t -107.39 97.37 5.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.759 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.5 p -92.55 139.38 30.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.579 HD11 ' HD2' ' A' ' 119' ' ' LYS . 7.0 mp . . . . . 0 C--O 1.236 0.343 0 CA-C-O 121.045 0.45 . . . . 0.0 111.296 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.0 t80 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.948 0.404 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 11' ' ' MET . 95.0 m-20 -61.82 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.943 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.2 p30 -57.63 -50.69 72.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.327 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.76 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.52 0.2 . . . . 0.0 111.468 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.55 -52.83 13.94 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.205 -172.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 10.5 mmt -60.72 -42.2 96.8 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.871 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -70.69 -44.24 67.36 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.076 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -54.16 -31.43 52.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.368 . . . . 0.0 110.583 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -80.18 -44.14 20.33 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.16 24.54 8.55 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.68 0.276 . . . . 0.0 110.943 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 38.3 tt0 -45.85 -52.26 11.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.443 0.697 . . . . 0.0 112.45 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -54.34 -56.51 17.8 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.444 0.64 . . . . 0.0 111.102 -177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -63.58 -39.18 93.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.864 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -71.64 -45.08 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.562 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 12.0 ptmm? -62.79 -47.22 84.43 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.79 -44.7 80.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.04 -40.3 80.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.95 -41.25 87.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.012 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 20' ' ' LYS . 85.9 mt -61.21 -39.7 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.087 0.47 . . . . 0.0 110.512 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -82.61 -21.62 35.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 N--CA 1.468 0.434 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.368 177.753 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.595 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 1.6 tpmt? . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.689 0.281 . . . . 0.0 111.653 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.558 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 12.2 tpp180 -68.01 114.19 19.25 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.056 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.558 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 89.9 Cg_endo -82.15 2.42 8.54 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.162 2.574 . . . . 0.0 114.052 -173.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 p -68.07 110.97 4.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.594 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -88.34 -47.8 0.44 Allowed Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.099 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 89.7 Cg_endo -76.82 47.81 2.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 122.511 2.141 . . . . 0.0 112.719 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 pt -53.91 -26.38 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.892 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.49 -61.34 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.529 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -59.9 -37.22 78.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.509 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -64.95 -32.66 74.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.196 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -81.18 -35.56 31.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.455 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.465 0.279 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.392 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 63' ' ' MET . 1.3 pmm? -128.84 153.43 47.46 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.777 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 58.1 mtt -127.2 123.41 36.56 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.345 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -92.45 100.32 12.89 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 t -91.29 101.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 130' ' ' GLU . 5.7 t -84.18 102.62 12.73 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.534 0.683 . . . . 0.0 109.727 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 80' ' ' ILE . 43.6 t -102.4 -51.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.111 -173.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 41.9 t -64.45 -72.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.161 -170.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.81 56.61 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.581 -171.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.592 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 3.3 p-10 -125.8 159.62 60.37 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.592 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 55.8 Cg_endo -67.91 -19.01 46.84 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.505 2.137 . . . . 0.0 114.33 -168.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.425 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 13.3 p -85.74 168.83 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.145 -0.347 . . . . 0.0 111.039 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 102' ' ' SER . 0.0 OUTLIER -103.64 -31.99 9.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -176.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.582 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -52.18 -42.0 63.1 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -168.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.413 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -59.64 -49.81 76.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -175.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.583 ' HA ' HG22 ' A' ' 80' ' ' ILE . 58.3 m -74.25 -36.33 63.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.469 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.14 -52.35 64.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 109.697 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.51 -54.36 41.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.799 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.65 HG21 HG11 ' A' ' 68' ' ' VAL . 11.0 tp -59.84 -37.46 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.984 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -68.89 -35.81 77.32 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.0 m -64.82 -38.13 89.96 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.466 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.71 -47.11 85.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -61.51 -36.74 81.39 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.619 ' HG2' ' HD2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -57.65 -53.4 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.06 98.31 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.423 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.433 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 43.3 m -66.55 -58.69 4.68 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -174.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.39 -34.4 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 111.461 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -88.66 -21.46 23.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 18.2 p30 -76.37 -24.7 54.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.45 0.85 57.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.17 173.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.7 m120 62.24 63.95 1.01 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.119 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -109.2 112.38 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 170.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.27 84.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.02 -176.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.994 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.59 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 3.9 mm-40 -138.98 157.14 46.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.527 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.619 ' HD2' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -156.48 134.97 11.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.592 179.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -141.19 155.72 46.02 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.8 96.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.528 0.68 . . . . 0.0 110.04 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.0 p -114.79 105.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.94 99.82 0.35 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 42.4 p -50.48 -20.24 1.09 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -168.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.671 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-20 -60.27 -40.83 91.76 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -132.47 142.35 49.2 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.248 0.547 . . . . 0.0 111.862 -174.625 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.79 128.77 51.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.138 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -92.17 116.5 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 111.005 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -103.5 128.67 50.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.276 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.59 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 65.5 mtt -104.78 127.75 52.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -113.9 168.56 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.614 -174.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -96.56 -56.57 2.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.67 152.46 40.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.555 -170.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.53 -5.38 63.46 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.012 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.2 p -65.8 -72.87 0.14 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.448 0.299 . . . . 0.0 110.88 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.12 -12.9 61.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.432 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 119' ' ' LYS . . . -50.55 -39.32 48.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.381 0.61 . . . . 0.0 110.911 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.672 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 3.2 m95 -71.51 -41.16 69.57 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.698 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.14 -28.99 64.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -76.81 -31.66 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.672 ' HE2' ' HA ' ' A' ' 116' ' ' TRP . 42.0 mtmt -54.4 -56.31 19.88 Favored 'General case' 0 C--N 1.346 0.445 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 168.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.13 -40.73 70.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -58.99 -45.72 89.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.526 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 85.7 mt -63.22 -39.44 94.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.069 0.461 . . . . 0.0 110.091 175.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 119' ' ' LYS . 82.1 t -64.8 -24.62 35.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.622 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.5 m -75.98 -0.81 22.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.472 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 125' ' ' GLN . 9.9 mm-40 -81.2 145.97 30.73 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 111.726 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -49.11 -41.85 37.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.783 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.77 6.86 39.59 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -168.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.7 t 64.65 -73.76 0.05 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 70.48 -169.57 0.16 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.112 0.565 . . . . 0.0 111.006 -176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.527 ' HB3' HG23 ' A' ' 67' ' ' THR . 34.2 tt0 -138.78 147.54 42.72 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.05 138.52 37.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.116 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.4 m -122.55 152.6 40.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.777 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 1.6 pt? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 117.865 0.302 . . . . 0.0 111.306 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.536 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 73.5 t80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.842 0.354 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.572 ' O ' ' HB3' ' A' ' 11' ' ' MET . 81.0 m-20 -56.34 -65.79 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.269 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.45 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -64.86 0.73 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 2.7 m-20 -67.89 -54.97 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.246 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.572 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.9 ttm -65.66 -34.7 78.82 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.449 -171.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -61.89 -55.73 26.65 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 16.2 mmt180 -62.54 -12.31 21.78 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 80.8 mt -82.79 -42.01 18.45 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.385 0.136 . . . . 0.0 110.987 172.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 11' ' ' MET . 1.6 pp -126.71 38.06 4.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 111.224 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ALA . 9.1 pt-20 -49.01 -16.73 0.15 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -57.15 -49.36 76.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -62.81 -41.59 99.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 110.445 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.08 -45.55 75.4 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.778 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.11 -54.47 44.65 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 11.9 m-20 -73.91 -21.65 59.98 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.382 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.1 -44.16 63.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.732 0.301 . . . . 0.0 110.48 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -76.23 -54.36 13.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -77.6 -16.49 58.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 11.3 tt0 . . . . . 0 C--O 1.236 0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.5 170.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--O 1.232 0.158 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 31.0 ptt180 -76.83 117.38 64.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.591 0.234 . . . . 0.0 110.453 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 -8.91 19.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.188 . . . . 0.0 111.475 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -123.74 109.95 14.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.626 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -98.43 -52.5 0.2 Allowed Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.034 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 71.9 Cg_endo -82.79 42.69 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.413 2.075 . . . . 0.0 113.058 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.19 -49.51 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.29 -44.05 88.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.49 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.69 -37.45 87.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.771 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -73.35 -28.48 62.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -75.87 -53.59 8.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.345 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.465 0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.364 -177.235 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--O 1.236 0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.525 ' HG2' ' HG2' ' A' ' 108' ' ' MET . 46.4 mtt -128.84 149.79 50.6 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.9 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.9 mtt -129.86 118.83 22.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.483 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -90.0 101.99 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.533 HG13 HG22 ' A' ' 131' ' ' VAL . 25.0 t -94.23 101.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.421 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.464 ' HB ' ' HG3' ' A' ' 130' ' ' GLU . 36.8 m -82.92 110.04 17.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 109.923 177.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 80' ' ' ILE . 45.3 t -102.03 -54.34 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.622 -172.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.675 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 52.8 p -79.69 -59.75 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.328 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.15 3.25 89.59 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 44.8 p30 -127.42 169.19 12.84 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.898 0.479 . . . . 0.0 109.774 177.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.01 -18.58 62.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.846 2.364 . . . . 0.0 112.571 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.43 HG23 ' HD3' ' A' ' 75' ' ' LYS . 32.5 m -62.77 95.23 0.07 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.458 0.647 . . . . 0.0 111.038 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.13 -15.75 62.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 3.5 mptp? -59.93 -39.52 85.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.453 -175.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 18.5 mm-40 -63.52 -55.04 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 t -63.52 -39.0 93.29 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.552 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -60.81 -52.74 63.79 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.294 0.568 . . . . 0.0 110.709 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 6.5 mm-40 -62.35 -49.13 76.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.304 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.518 HG21 HG11 ' A' ' 68' ' ' VAL . 9.9 tp -66.05 -37.23 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.831 -176.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 78.7 m -66.2 -41.71 89.81 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.48 ' HA ' HE21 ' A' ' 85' ' ' GLN . 5.0 p -63.97 -41.48 97.53 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.737 0.304 . . . . 0.0 110.579 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt -59.25 -47.04 86.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 110.534 175.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.456 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.6 m0 -63.77 -41.49 97.95 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.13 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.48 HE21 ' HA ' ' A' ' 82' ' ' SER . 47.6 mt-30 -54.93 -47.99 73.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 109.989 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.12 -49.8 72.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.063 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.0 m -63.78 -46.52 84.86 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.459 HD13 HG21 ' A' ' 95' ' ' VAL . 95.3 mt -62.25 -49.7 74.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 -175.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -73.38 -19.88 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -72.67 -40.66 66.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.861 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.48 -2.99 55.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.125 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 62.99 82.55 0.18 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -118.88 154.76 32.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.014 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.492 ' HB3' ' HE ' ' A' ' 110' ' ' ARG . 20.0 m-20 -95.94 78.79 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.323 0.582 . . . . 0.0 109.624 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 88' ' ' LEU . 26.8 m -125.71 146.95 30.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.602 -173.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.543 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 52.0 mt-30 -113.45 158.99 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 170.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.572 ' HD3' ' N ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.6 138.02 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.622 0.248 . . . . 0.0 110.983 -173.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -141.52 132.51 26.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.975 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.8 tt -99.15 108.62 22.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.408 0.623 . . . . 0.0 110.486 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.26 129.77 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.528 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.73 102.33 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -172.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.5 m -48.36 -24.39 1.21 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.69 -38.63 89.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.964 0.411 . . . . 0.0 111.757 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.478 ' HD3' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -136.57 178.71 6.86 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.677 0.751 . . . . 0.0 112.584 -168.104 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.36 145.75 32.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.029 171.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.8 tt -111.16 133.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.27 143.39 40.52 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.403 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.543 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 64.2 mtt -125.0 121.3 34.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.435 ' CD2' HG12 ' A' ' 95' ' ' VAL . 66.3 mt -90.33 145.62 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.492 ' HE ' ' HB3' ' A' ' 94' ' ' ASP . 27.6 mtm105 -95.43 5.53 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 109.918 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.21 -166.64 1.91 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.404 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.13 29.12 1.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.689 -0.565 . . . . 0.0 111.689 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 m -101.2 -68.69 0.8 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -84.92 22.12 1.45 Allowed 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.193 -0.317 . . . . 0.0 111.386 -173.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.27 68.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.617 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -27.74 63.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.288 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.26 -44.7 58.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.568 0.223 . . . . 0.0 110.425 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.562 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.7 tt -68.64 -39.49 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.512 ' HE2' ' HB ' ' A' ' 131' ' ' VAL . 10.0 tmtt? -56.72 -47.29 80.29 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.506 ' HA ' HG12 ' A' ' 123' ' ' VAL . 15.9 t70 -61.76 -45.38 94.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.173 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -55.54 -40.32 71.72 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.804 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 89.3 mt -71.27 -44.86 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.134 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 120' ' ' ASP . 14.6 p -73.94 -24.47 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.8 m -68.7 -4.28 15.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.408 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.577 ' HG3' ' H ' ' A' ' 127' ' ' ARG . 7.7 tp-100 -59.29 135.54 57.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.051 174.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.92 -29.74 56.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.692 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.577 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 10.4 mpt_? -73.22 -4.72 34.79 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.73 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 42.0 t 58.7 36.69 25.06 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.118 0.485 . . . . 0.0 110.694 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.43 130.98 48.7 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.464 ' HG3' ' HB ' ' A' ' 67' ' ' THR . 10.8 pt-20 -81.07 118.8 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.533 HG22 HG13 ' A' ' 66' ' ' VAL . 46.8 t -101.5 103.45 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.049 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.0 m -97.64 136.97 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-O 120.584 0.231 . . . . 0.0 110.469 -177.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 15.0 t80 . . . . . 0 C--O 1.235 0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 11' ' ' MET . 49.7 m-80 -64.19 -51.47 63.59 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.665 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 22.7 t70 -52.48 -71.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.414 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.6 -70.86 0.07 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.73 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.4 m-20 -61.5 -65.37 0.7 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.359 -173.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.1 mmt -68.18 -42.7 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.256 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -73.48 -45.03 56.48 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.758 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -68.71 -23.17 64.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.933 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 57.6 mt -71.99 -48.6 43.68 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.13 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.17 -7.52 58.98 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 52.7 mm-40 -48.62 -41.92 32.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 111.236 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -61.62 -38.0 86.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.989 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -70.74 -43.32 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.719 -176.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.26 -34.79 76.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.396 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.4 tttt -65.07 -48.72 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.2 -40.45 96.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.203 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.32 -38.84 84.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.986 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.61 -33.35 72.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.902 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 20' ' ' LYS . 79.8 mt -72.03 -38.3 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.515 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.91 -66.84 0.79 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.047 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.837 -176.541 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.32 0.581 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.78 100.63 49.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.84 -60.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.435 2.09 . . . . 0.0 113.614 -172.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 m -86.12 109.7 19.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.912 0.387 . . . . 0.0 111.2 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.2 -50.72 1.13 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.624 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.03 44.63 1.51 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.478 2.118 . . . . 0.0 113.035 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.2 pt -54.37 -33.39 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.592 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' O ' HD13 ' A' ' 44' ' ' LEU . 33.1 t70 -54.31 -52.06 62.69 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.604 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.49 -31.55 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.944 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 m -73.89 -33.45 64.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -82.26 -44.02 16.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 40' ' ' ASP . 9.8 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.076 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.565 HD22 HD23 ' A' ' 109' ' ' LEU . 2.1 tt . . . . . 0 C--O 1.236 0.359 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.3 mtm -127.18 138.53 53.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.245 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 131' ' ' VAL . 62.7 mtt -119.77 116.97 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.669 0.271 . . . . 0.0 110.858 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.66 98.64 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.506 HG21 HD13 ' A' ' 122' ' ' LEU . 13.4 t -89.92 106.32 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.018 -174.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.9 m -75.97 102.59 5.67 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.592 HG11 HG21 ' A' ' 80' ' ' ILE . 21.5 t -102.0 -62.34 2.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.058 0.456 . . . . 0.0 112.006 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -92.33 -55.18 3.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.127 -169.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.578 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 65.52 30.49 77.62 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.481 -173.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -116.97 165.47 15.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 122.736 0.414 . . . . 0.0 111.01 -171.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.7 -44.24 3.14 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.543 2.162 . . . . 0.0 112.242 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.612 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 7.0 p -73.83 91.4 1.95 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.415 0.626 . . . . 0.0 111.458 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.722 ' HG2' ' HB3' ' A' ' 102' ' ' SER . 32.7 mt-10 -55.49 -25.92 39.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.612 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.7 ptmm? -44.1 -46.88 8.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.479 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 42.7 mt-10 -65.03 -39.45 93.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.949 -173.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.6 m -65.47 -45.7 82.66 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.79 -52.45 65.0 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.254 0.549 . . . . 0.0 110.466 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 41.8 mt-10 -62.96 -47.68 82.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.435 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.592 HG21 HG11 ' A' ' 68' ' ' VAL . 9.8 tp -62.06 -38.62 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.6 m -63.83 -34.55 78.17 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.839 0.352 . . . . 0.0 110.421 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m -66.47 -41.34 89.16 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.544 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.01 -48.78 80.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.523 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 27.7 m0 -60.87 -42.88 98.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.651 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HG3' ' HD2' ' A' ' 97' ' ' ARG . 29.3 tt0 -52.59 -55.67 20.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.37 -53.92 42.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.104 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.9 m -54.99 -46.74 75.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.07 -43.69 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.26 -25.27 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.041 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -21.26 63.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.075 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 14.83 30.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.491 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.1 m120 67.37 19.78 10.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.872 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -92.06 81.82 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.55 ' HB2' HH11 ' A' ' 110' ' ' ARG . 4.6 m-20 -69.54 77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.176 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -87.61 151.27 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.816 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 17.2 mm100 -99.8 101.12 12.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.6 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -116.25 131.44 56.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.978 -170.034 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -138.44 159.04 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.365 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -101.9 89.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.666 0.746 . . . . 0.0 110.443 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 100' ' ' VAL . 24.3 m -115.16 112.44 39.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.001 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.78 103.95 2.65 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -169.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.722 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 16.3 m -48.71 -23.8 1.17 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.578 ' HB2' ' HA2' ' A' ' 70' ' ' GLY . 8.7 p-10 -100.41 -17.87 17.0 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -176.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.62 140.87 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.191 0.52 . . . . 0.0 111.932 -171.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.16 171.57 7.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.572 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 10.2 tt -126.63 131.36 71.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.751 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -122.0 109.87 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.465 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.5 ttp -93.41 129.61 39.5 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.565 HD23 HD22 ' A' ' 62' ' ' LEU . 4.0 mm? -94.31 153.12 18.17 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.197 0.522 . . . . 0.0 111.572 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.55 HH11 ' HB2' ' A' ' 94' ' ' ASP . 46.5 mtm180 -79.55 -52.75 7.61 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -105.63 -167.14 1.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.723 -174.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -138.23 21.7 3.11 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.288 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -87.07 -68.31 0.76 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.761 0.315 . . . . 0.0 110.713 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -89.78 12.52 16.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.716 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.21 -38.86 54.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.825 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.457 ' O ' ' HB3' ' A' ' 119' ' ' LYS . 8.1 m95 -69.57 -36.05 75.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.481 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.71 -37.99 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.482 HD13 HD11 ' A' ' 109' ' ' LEU . 15.0 tt -68.87 -34.65 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 116' ' ' TRP . 22.0 ttpp -53.74 -53.12 56.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.832 170.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.604 ' HA ' HG12 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -58.89 -45.06 91.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.929 178.221 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -51.79 -46.11 64.07 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.058 0.456 . . . . 0.0 110.673 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.506 HD13 HG21 ' A' ' 66' ' ' VAL . 74.7 mt -65.29 -49.79 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.219 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 120' ' ' ASP . 7.7 p -74.08 -15.79 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.448 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 72.1 m -64.92 -10.84 31.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.219 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.523 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 13.0 mm-40 -54.19 140.54 32.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.67 -36.13 75.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -81.15 6.68 13.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.317 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.1 m 59.77 81.41 0.17 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.616 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.07 97.19 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.105 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.36 129.02 34.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.05 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 64' ' ' MET . 5.3 p -117.52 128.69 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.09 -171.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.7 m -94.19 105.4 17.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.341 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 111.612 -176.62 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.659 0.266 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.491 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.0 m-20 -61.48 -52.05 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.92 -65.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -56.45 19.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.115 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.02 -45.88 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.657 -172.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 27.0 mmt -64.6 -38.29 90.51 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.854 178.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.84 -47.21 83.34 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -55.44 -42.64 74.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.321 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.35 -43.2 98.38 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.602 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 11' ' ' MET . 10.9 mp -74.46 -18.88 60.57 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.671 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 58.5 mt-10 -58.17 -25.93 62.11 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -60.28 -50.74 72.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.341 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -68.04 -41.64 81.79 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.632 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.25 -53.79 38.95 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.038 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -58.73 -41.14 85.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.263 -179.139 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.38 -49.7 76.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.277 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.84 -31.75 68.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.883 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.87 -45.26 28.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.948 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.625 HG12 ' O ' ' A' ' 20' ' ' LYS . 23.4 pt -76.67 -30.5 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.462 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.21 -23.14 20.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.158 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 C--O 1.235 0.322 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.858 176.341 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 tptm . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.818 0.342 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.486 ' HD2' ' O ' ' A' ' 34' ' ' ARG . 3.2 ppt_? -76.89 143.02 70.22 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.173 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -62.27 -56.52 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.555 2.17 . . . . 0.0 111.808 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.5 p -130.47 144.44 51.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.167 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.555 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -76.08 -48.81 3.4 Favored Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 123.299 0.375 . . . . 0.0 111.648 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 82.3 Cg_endo -93.4 83.95 0.18 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.397 2.065 . . . . 0.0 112.104 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 39' ' ' ILE . 2.9 mp -62.76 -47.94 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.413 -177.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.32 -62.82 1.39 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.423 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.39 -38.21 88.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.489 -175.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 t -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.243 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -84.74 -43.33 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.326 . . . . 0.0 110.855 -174.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.236 0.353 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.292 -178.09 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.465 0.289 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -138.59 129.26 26.35 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.634 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 61.9 mtt -118.28 143.18 46.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.456 -176.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 124.51 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.745 HG21 HD13 ' A' ' 122' ' ' LEU . 43.3 t -116.3 113.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.081 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -77.08 108.45 10.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HB ' HG21 ' A' ' 80' ' ' ILE . 30.2 m -100.89 -45.74 11.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.157 -168.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 71' ' ' ASN . 55.9 p -92.02 -61.83 1.54 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.17 0.509 . . . . 0.0 110.477 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.73 -10.31 75.14 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -173.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 14.4 p-10 -127.08 158.16 69.84 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 123.375 0.67 . . . . 0.0 109.617 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.39 -18.96 67.01 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.25 2.633 . . . . 0.0 113.616 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.427 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 69.8 p -48.55 125.82 10.52 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.511 0.324 . . . . 0.0 111.686 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 19.8 mp0 -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.146 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -63.03 -59.52 4.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.329 -172.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 9.0 mm-40 -51.21 -55.39 18.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.067 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -64.27 -37.48 87.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.969 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.6 -55.99 27.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.557 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.69 -46.33 88.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.339 -174.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.579 HG21 ' HB ' ' A' ' 68' ' ' VAL . 11.0 tp -71.67 -42.01 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.317 -176.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 m -68.78 -34.38 75.45 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.747 0.308 . . . . 0.0 110.412 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.1 t -67.77 -39.99 84.06 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.74 -53.39 58.35 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.466 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.498 ' CZ2' ' HG3' ' A' ' 125' ' ' GLN . 26.6 m0 -65.09 -38.76 91.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -54.91 -39.93 69.3 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.21 -49.28 5.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.04 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 t -54.94 -49.79 70.47 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.822 0.449 . . . . 0.0 111.862 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.608 HD13 HG21 ' A' ' 95' ' ' VAL . 97.2 mt -61.59 -32.88 73.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.882 0.373 . . . . 0.0 110.864 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -88.72 -9.69 51.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -80.83 -44.72 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.57 -12.04 59.99 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.323 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.83 78.47 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.482 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -124.68 130.59 52.7 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.9 91.08 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.343 0.592 . . . . 0.0 110.245 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.608 HG21 HD13 ' A' ' 88' ' ' LEU . 36.0 m -136.94 153.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.358 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.654 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 14.9 mm100 -101.51 110.08 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.8 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -111.8 121.29 44.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -177.118 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 98.4 m-85 -136.03 142.25 44.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.461 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 tt -96.22 90.78 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.464 0.649 . . . . 0.0 110.196 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.27 128.74 76.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.587 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.44 101.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.1 p -55.03 -15.62 2.22 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -171.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.92 -29.04 62.82 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.213 0.53 . . . . 0.0 110.822 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.537 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -142.11 -175.54 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.253 0.549 . . . . 0.0 111.816 -170.438 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.54 152.21 45.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.09 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.41 137.48 45.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.97 0.414 . . . . 0.0 111.007 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -127.76 106.91 9.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.335 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.654 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 68.3 mtm -95.64 114.94 26.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.6 mt -78.48 129.52 34.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.348 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -74.48 -44.59 50.78 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -116.28 131.57 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.373 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.41 3.94 69.44 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.464 -173.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -73.62 -28.28 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.16 0.48 . . . . 0.0 110.587 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -95.05 16.18 16.97 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.579 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' HG22 ' A' ' 118' ' ' ILE . . . -56.65 -59.26 5.26 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -173.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.02 -36.25 81.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -176.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -62.41 -45.15 94.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 15.0 tt -69.84 -35.31 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.166 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -52.98 -54.65 31.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.951 0.405 . . . . 0.0 110.157 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.577 ' HA ' HG12 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -60.25 -44.43 95.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.796 178.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -54.0 -40.64 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 0.0 110.86 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.745 HD13 HG21 ' A' ' 66' ' ' VAL . 80.6 mt -74.97 -44.09 50.31 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.17 -178.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 120' ' ' ASP . 7.1 p -79.12 -13.96 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.306 . . . . 0.0 111.762 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.9 m -74.6 -4.51 37.55 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 122.245 -0.284 . . . . 0.0 111.345 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.498 ' HG3' ' CZ2' ' A' ' 84' ' ' TRP . 17.7 mm-40 -69.4 143.5 53.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.86 -22.11 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.75 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -55.79 -23.81 32.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.827 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.1 t 60.12 43.16 14.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.695 0.76 . . . . 0.0 109.177 -173.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.83 135.86 48.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.846 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 6.7 mm-40 -81.2 112.65 18.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.08 118.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.186 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.9 p -132.17 148.39 52.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.768 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.634 ' HG ' ' HG2' ' A' ' 64' ' ' MET . 5.4 mp . . . . . 0 C--N 1.331 -0.231 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.8 t80 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 11' ' ' MET . 95.3 m-20 -53.99 -65.23 0.61 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.196 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.646 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -50.42 -67.58 0.24 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.659 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.72 -70.43 0.09 Allowed 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.116 0.484 . . . . 0.0 111.155 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.481 ' O ' HD13 ' A' ' 14' ' ' LEU . 26.8 t70 -70.12 -58.02 4.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.143 -172.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.52 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 tpp -66.06 -35.94 81.89 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.919 -170.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -74.52 -33.02 62.69 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.556 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -61.95 -44.22 97.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.814 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 10' ' ' ASP . 11.2 mp -64.31 -52.86 56.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.2 mt -78.44 -6.05 54.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.812 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -52.6 -30.11 29.5 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.06 -43.26 77.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -78.42 -42.22 30.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.837 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.21 -53.32 59.14 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.269 0.557 . . . . 0.0 109.584 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 24' ' ' ILE . 24.3 ttmm -56.51 -43.72 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.215 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 27.8 t70 -51.63 -54.63 25.75 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.693 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.97 -37.96 84.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -69.33 -21.1 63.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.148 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.3 mt -86.92 -37.53 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.0 109.917 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 20.8 mm-40 -61.96 -30.52 70.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.41 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.564 173.86 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--O 1.233 0.234 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -70.98 148.74 94.65 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.45 -20.43 68.43 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.937 2.425 . . . . 0.0 112.84 -176.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 m -130.12 107.97 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 -50.92 0.28 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 64.9 Cg_exo -51.58 102.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.496 2.13 . . . . 0.0 112.8 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.02 -47.32 93.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.747 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HD13 ' A' ' 44' ' ' LEU . 8.9 p-10 -58.92 -45.13 91.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.528 ' HB2' ' HB2' ' A' ' 38' ' ' PRO . 56.7 m-85 -59.88 -47.03 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.454 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.8 t -61.92 -28.88 69.84 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -84.39 -28.42 26.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 40' ' ' ASP . 10.8 mp . . . . . 0 N--CA 1.467 0.392 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.501 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.4 HD11 HD12 ' A' ' 109' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.627 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -133.52 145.09 49.82 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.563 0.697 . . . . 0.0 112.147 -171.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.482 ' HG2' HD23 ' A' ' 133' ' ' LEU . 63.0 mtt -117.25 124.73 49.77 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.183 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 106' ' ' ILE . 75.8 m-85 -87.09 114.1 23.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 66' ' ' VAL . 29.8 m -111.42 107.54 23.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.191 0.52 . . . . 0.0 111.322 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 27.1 m -77.09 106.91 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.691 HG11 HG21 ' A' ' 80' ' ' ILE . 24.5 t -102.95 -60.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.277 0.561 . . . . 0.0 111.454 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.499 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 19.3 m -75.25 -57.28 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 -171.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.36 64.02 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.884 -174.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.449 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 1.8 p-10 -109.98 160.83 26.67 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.875 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 81.6 Cg_endo -78.3 -24.17 8.15 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.593 2.195 . . . . 0.0 112.95 -177.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.423 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 15.7 p -65.76 100.31 0.53 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.385 0.612 . . . . 0.0 110.482 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 77' ' ' THR . 42.9 tt0 -63.12 -26.1 68.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.6 -172.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.4 ptmt -42.91 -34.4 0.96 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.822 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.37 -52.59 25.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.514 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.3 t -64.41 -32.1 73.58 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.123 -178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.57 -52.32 66.06 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 83' ' ' LEU . 75.5 mm-40 -53.06 -62.46 1.64 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.161 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.691 HG21 HG11 ' A' ' 68' ' ' VAL . 10.3 tp -59.74 -38.44 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.685 -172.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.5 m -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -63.53 -47.71 80.51 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.671 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.9 mp -60.89 -42.13 97.4 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.451 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 6.5 m0 -62.82 -57.18 11.77 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.71 -37.07 70.43 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.373 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.84 -32.77 78.33 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.358 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.443 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 23.3 t -86.59 -21.44 26.83 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.156 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 95.7 mt -89.54 -47.98 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.585 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.41 -23.19 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -175.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 32.8 p30 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.299 0.571 . . . . 0.0 109.818 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.07 9.63 38.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.115 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER 72.58 19.15 4.19 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.663 177.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.405 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . 9.0 m-30 -78.15 95.58 4.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.447 177.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.34 89.57 5.55 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.357 0.599 . . . . 0.0 109.961 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.1 144.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.904 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -101.36 120.1 39.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 -177.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.704 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -118.27 131.34 56.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.966 -174.61 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -126.65 142.58 51.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.409 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 tt -95.35 99.66 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.508 0.671 . . . . 0.0 110.633 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 100' ' ' VAL . 17.1 m -128.62 111.27 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.358 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.69 103.99 1.86 Allowed Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.006 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.7 m -53.95 -13.85 0.87 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.499 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 8.2 p-10 -99.24 -3.53 34.02 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.811 0.338 . . . . 0.0 111.343 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.401 ' HB3' ' HA ' ' A' ' 67' ' ' THR . 17.5 ptp180 -151.21 178.28 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.305 0.574 . . . . 0.0 111.968 -170.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.17 162.51 36.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.807 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.419 HD12 ' CE2' ' A' ' 65' ' ' PHE . 14.7 tt -123.33 127.57 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 178.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -112.21 106.66 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.094 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -78.34 122.26 25.53 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 168.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.4 HD12 HD11 ' A' ' 62' ' ' LEU . 54.5 mt -95.63 103.4 15.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.8 -39.64 56.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.952 -173.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -108.35 111.58 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.186 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.81 -3.79 90.42 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.691 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.4 m -54.17 -25.54 23.07 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.677 0.275 . . . . 0.0 111.129 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -130.91 28.69 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.829 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.11 -57.71 11.03 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.401 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.526 ' HE3' ' HA ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -67.52 -26.55 66.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.088 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.43 -47.34 70.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.733 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.8 tt -70.87 -30.12 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 123' ' ' VAL . 1.1 tmmt? -60.17 -46.53 89.38 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.646 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -63.32 -38.14 89.98 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.117 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.65 -42.05 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.92 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -42.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 119' ' ' LYS . 84.3 t -67.41 -31.59 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 110.493 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -74.24 -22.67 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.499 ' NE2' HD11 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -63.78 126.72 28.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.106 0.479 . . . . 0.0 110.738 -177.584 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.63 -25.8 63.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.513 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.563 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 4.2 mmp_? -100.33 19.41 16.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.254 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 54.1 t -92.51 122.14 34.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.804 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' THR . . . -94.53 -55.46 3.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 111.044 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.54 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 37.6 mt-10 -140.6 138.09 34.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.615 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.91 125.87 67.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.4 m -128.29 109.95 11.94 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.221 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 64' ' ' MET . 3.3 tm? . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 11' ' ' MET . 42.5 m-80 -54.84 -60.99 2.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.09 -62.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.671 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.54 -63.28 1.22 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.879 0.371 . . . . 0.0 111.847 -174.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 1.8 m-20 -66.54 -52.78 41.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.873 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.454 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 46.1 ttm -65.05 -32.06 73.59 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.782 -172.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.36 67.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.838 0.351 . . . . 0.0 110.155 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' C ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.18 -34.26 66.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.196 179.401 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.01 -38.52 16.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.613 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -121.59 35.87 4.77 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -8.64 1.68 Allowed 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.379 -0.201 . . . . 0.0 111.38 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' NE2' ' H ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -52.06 -34.49 43.75 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 176.215 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -77.26 -42.96 35.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.481 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.51 -37.47 77.17 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.281 0.563 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.37 -47.47 79.15 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.733 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.18 -53.19 60.9 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.43 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -57.83 -47.5 82.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.43 -47.12 76.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 111.11 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -75.53 -53.19 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.529 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.22 -48.28 76.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.688 -174.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.264 -178.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.796 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.632 0.253 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 104.95 2.51 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.16 -57.01 1.46 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.225 2.617 . . . . 0.0 113.878 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -120.27 115.65 24.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 -175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.16 -50.59 0.54 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.34 28.64 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 122.456 2.104 . . . . 0.0 113.37 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.1 pt -62.19 -28.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.752 0.311 . . . . 0.0 110.729 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -68.16 -45.18 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.05 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -62.17 -34.27 76.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 0.0 109.809 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -73.26 -30.67 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.264 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.55 -47.3 76.33 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.616 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 177.693 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? . . . . . 0 N--CA 1.462 0.157 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.499 ' N ' ' SD ' ' A' ' 63' ' ' MET . 1.1 pmm? -107.73 149.91 27.59 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.493 0.663 . . . . 0.0 110.983 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.1 mtt -129.38 153.99 47.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.327 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -113.57 106.85 15.03 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.527 HG13 HG22 ' A' ' 131' ' ' VAL . 28.7 t -88.38 104.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.75 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -76.81 103.6 6.86 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.702 HG11 HG21 ' A' ' 80' ' ' ILE . 24.7 t -101.36 -62.53 2.0 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.568 -172.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.0 p -92.57 -61.5 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.266 -174.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.73 9.21 81.57 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.63 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 1.8 p-10 -126.81 163.24 42.43 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 123.219 0.608 . . . . 0.0 109.663 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.63 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 60.0 Cg_endo -70.19 -26.2 25.81 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.582 2.188 . . . . 0.0 114.015 -168.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.473 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 4.5 p -62.81 90.16 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.37 0.605 . . . . 0.0 111.0 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.45 -21.33 66.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.186 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -54.19 -48.29 71.15 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.5 -178.286 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.33 -45.62 92.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.981 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.8 m -64.01 -39.36 93.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -48.58 74.61 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.098 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.85 -54.39 46.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.855 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.702 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -62.42 -36.96 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.789 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -30.04 68.01 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.693 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.5 m -68.84 -39.21 80.08 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.99 0.424 . . . . 0.0 109.912 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.74 -43.68 95.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.155 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.42 ' HE1' ' NE2' ' A' ' 125' ' ' GLN . 34.6 m0 -64.84 -37.98 89.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.501 176.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.512 ' HG2' HH11 ' A' ' 97' ' ' ARG . 0.6 OUTLIER -54.62 -56.43 19.12 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.6 -55.5 30.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.231 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -55.15 -52.92 61.75 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.423 0.289 . . . . 0.0 111.703 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.11 -47.5 85.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.646 0.26 . . . . 0.0 111.147 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.09 -29.32 69.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 0.0 110.612 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 90' ' ' ASN . 0.9 OUTLIER -73.59 -19.54 60.85 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.063 0.458 . . . . 0.0 109.81 174.421 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.03 13.88 19.45 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.606 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 73.49 16.09 4.07 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.037 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -75.73 121.56 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.723 0.296 . . . . 0.0 110.285 174.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -98.96 38.48 1.38 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.679 0.752 . . . . 0.0 109.481 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 m -87.06 170.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.764 -176.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.628 ' HB3' ' HB2' ' A' ' 108' ' ' MET . 6.7 tp-100 -117.17 153.2 33.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -154.39 143.48 21.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.516 0.198 . . . . 0.0 110.899 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -141.56 150.07 41.61 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 tt -101.08 107.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.047 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 100' ' ' VAL . 4.8 p -145.65 106.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.53 98.79 1.28 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -170.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 m -47.25 -30.48 3.07 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.69 -44.66 85.97 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.884 0.374 . . . . 0.0 111.777 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 ptp85 -134.85 137.61 43.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.145 -167.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.18 130.02 46.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.9 tt -93.43 119.79 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.972 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -111.13 118.23 35.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.384 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.628 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.0 mtt -94.7 106.52 18.5 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.006 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 118' ' ' ILE . 35.9 mt -93.69 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.102 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -63.84 -52.33 60.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.237 0.541 . . . . 0.0 110.453 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -164.13 -174.69 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.623 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.18 44.7 3.21 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.741 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 p -86.04 -70.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.89 23.5 12.76 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.661 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.24 -47.7 71.93 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.641 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -30.0 67.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.558 -178.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.61 -51.93 30.59 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.519 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.9 tt -65.56 -41.16 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HG3' ' HB ' ' A' ' 131' ' ' VAL . 60.8 tttp -56.82 -45.14 82.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.037 176.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.14 -54.1 50.64 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.815 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -51.78 -49.14 63.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.456 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 87.6 mt -65.34 -37.6 87.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.236 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 119' ' ' LYS . 94.8 t -78.04 -22.03 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 110.808 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.7 m -70.36 -0.31 7.95 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.593 ' NE2' HD11 ' A' ' 80' ' ' ILE . 13.4 mm-40 -55.67 139.41 44.85 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.027 0.442 . . . . 0.0 110.701 176.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.64 -34.73 78.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.702 -174.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.64 4.95 19.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.08 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.0 t 70.27 155.51 0.14 Allowed 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.129 0.572 . . . . 0.0 111.344 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -170.85 -173.82 1.43 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.246 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.15 144.94 19.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.867 0.365 . . . . 0.0 110.244 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.555 ' HB ' ' HG3' ' A' ' 119' ' ' LYS . 43.2 t -121.87 110.25 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.871 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.1 p -95.28 147.13 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -177.315 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.528 0.099 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' A' ' 11' ' ' MET . 34.5 m-80 -55.66 -63.36 1.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -47.83 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.166 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 -55.38 33.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.7 t70 -74.11 -45.46 48.9 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.536 -169.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.552 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 ttm -72.18 -38.68 69.04 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.579 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.8 95.48 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.636 -0.425 . . . . 0.0 109.963 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.0 ttp-105 -63.0 -35.52 80.49 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.06 -52.37 36.01 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.7 -10.48 59.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.264 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.37 -46.19 55.82 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.087 0.47 . . . . 0.0 110.204 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.61 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 49.4 mt-30 -59.78 -52.86 63.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -56.77 -41.32 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.25 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.15 -60.23 3.0 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.94 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HE3' ' HA ' ' A' ' 17' ' ' GLN . 22.3 pttp -62.13 -45.16 94.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.11 -41.54 97.22 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.53 -45.37 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.4 -50.08 66.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.293 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.6 mt -61.82 -48.24 89.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.412 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.31 -42.45 79.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.628 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 N--CA 1.466 0.348 0 CA-C-O 121.121 0.486 . . . . 0.0 112.014 176.408 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.2 tttp . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.522 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -75.85 108.58 6.2 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.457 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.32 -32.36 95.88 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.709 2.273 . . . . 0.0 112.812 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -69.43 111.87 5.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -64.66 -51.63 57.28 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.743 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 93.0 Cg_endo -80.1 89.86 1.29 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.861 1.707 . . . . 0.0 111.141 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.02 -28.14 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.361 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.95 -42.99 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' HD1' ' HB2' ' A' ' 38' ' ' PRO . 82.6 m-85 -65.38 -32.38 73.99 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.949 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -76.08 -38.22 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.115 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -67.08 -46.46 74.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.727 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.153 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 109' ' ' LEU . 1.5 tm? . . . . . 0 C--O 1.231 0.098 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 ptp -135.24 154.47 51.56 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.238 0.542 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.57 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 53.6 mtt -128.94 124.5 35.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.173 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -95.01 104.54 16.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.64 HG21 HD13 ' A' ' 122' ' ' LEU . 16.7 t -100.53 108.44 23.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.72 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 t -79.34 101.1 7.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.292 0.568 . . . . 0.0 109.918 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.593 HG11 HG21 ' A' ' 80' ' ' ILE . 22.5 t -103.17 -44.36 9.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.542 -171.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.645 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 33.1 t -75.24 -71.0 0.39 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.37 10.11 40.46 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.752 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 35.1 t30 -125.88 127.79 24.69 Favored Pre-proline 0 C--O 1.234 0.261 0 C-N-CA 123.243 0.617 . . . . 0.0 109.799 -176.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 71' ' ' ASN . 40.8 Cg_exo -58.27 -23.5 62.85 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.85 2.367 . . . . 0.0 112.93 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -84.44 118.24 24.15 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.6 -10.48 35.91 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 15.3 ptmm? -44.8 -44.82 9.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.661 0.267 . . . . 0.0 111.681 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.62 -51.51 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.503 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.3 t -68.19 -33.76 75.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.74 -54.86 24.83 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 35.1 mm-40 -55.61 -53.3 58.13 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.965 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.593 HG21 HG11 ' A' ' 68' ' ' VAL . 9.9 tp -67.75 -42.72 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.674 -172.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 HE21 ' A' ' 85' ' ' GLN . 97.3 m -67.77 -38.19 83.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.397 0.141 . . . . 0.0 110.994 -177.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.4 p -68.54 -49.41 59.76 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.741 0.305 . . . . 0.0 110.499 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.37 -44.78 89.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.485 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 5.6 m0 -61.45 -59.08 5.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.41 HE21 HG22 ' A' ' 81' ' ' THR . 11.0 pt20 -56.71 -36.72 70.0 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 110.626 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.45 -49.79 58.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.576 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 t -57.56 -43.11 84.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.889 0.476 . . . . 0.0 110.968 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 82.5 mt -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.32 -20.14 55.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -33.72 73.85 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.1 -2.54 56.93 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.544 174.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER 73.73 20.64 2.94 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.312 174.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -87.27 98.33 11.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -68.52 85.36 0.29 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.224 0.535 . . . . 0.0 111.079 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.22 160.03 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.892 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.68 145.23 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.61 139.75 23.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -137.03 156.56 48.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.1 tt -122.95 90.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.632 0.729 . . . . 0.0 110.391 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 100' ' ' VAL . 16.6 m -113.64 99.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.561 177.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.433 ' HA3' ' NH1' ' A' ' 104' ' ' ARG . . . 98.53 102.16 2.27 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.8 t -49.83 -18.08 0.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.645 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 23.0 t70 -73.29 -43.53 60.8 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.485 ' HD3' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -129.92 140.51 50.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.227 0.537 . . . . 0.0 112.139 -172.087 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.44 137.22 40.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.248 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.71 118.28 54.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -103.92 123.09 46.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.081 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 55.4 ttp -103.23 120.03 39.98 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.502 ' HB2' HD12 ' A' ' 62' ' ' LEU . 2.3 mm? -100.96 132.45 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.622 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -74.92 -28.01 60.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.312 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -121.14 148.9 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.525 -176.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.61 -5.75 33.66 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.718 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.7 t -73.25 -40.4 64.67 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.812 0.306 . . . . 0.0 110.243 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.403 ' O ' HG22 ' A' ' 118' ' ' ILE . 5.2 t80 -83.39 -2.23 55.3 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.05 71.62 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.05 -41.53 67.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.649 0.262 . . . . 0.0 111.14 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -49.46 75.31 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 8.7 tp -67.36 -35.67 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.426 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -54.41 -53.59 52.03 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.07 0.462 . . . . 0.0 110.123 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.57 ' HA ' HG12 ' A' ' 123' ' ' VAL . 2.9 m-20 -64.5 -36.49 84.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.675 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.48 -48.74 79.79 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.64 HD13 HG21 ' A' ' 66' ' ' VAL . 90.5 mt -65.46 -48.92 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.325 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 120' ' ' ASP . 12.3 p -70.36 -24.34 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.724 0.297 . . . . 0.0 111.267 -176.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -75.16 -3.11 30.97 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.096 -178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.502 ' NE2' HD11 ' A' ' 80' ' ' ILE . 6.6 tp-100 -60.56 147.68 40.73 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.364 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.94 -20.89 60.0 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -79.24 -16.42 56.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.438 0.161 . . . . 0.0 111.148 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.2 t 58.57 87.28 0.08 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.209 0.528 . . . . 0.0 110.14 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -110.2 135.96 50.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.844 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.76 118.35 22.8 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.981 0.419 . . . . 0.0 110.097 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.447 HG23 HG22 ' A' ' 66' ' ' VAL . 2.7 p -95.93 97.85 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.495 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.9 m -89.55 99.39 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.972 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.57 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 3.9 pp . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.692 0.282 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -60.23 -50.74 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -52.15 -64.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.384 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -55.72 20.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.703 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.53 -47.92 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.622 -173.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.432 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 16.6 mmt -65.87 -45.3 82.62 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.222 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.61 87.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.27 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.708 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 85.2 mtt180 -79.28 -12.24 59.95 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.163 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -71.99 -52.67 15.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.551 ' HA ' ' NE1' ' A' ' 18' ' ' TRP . 10.3 mp -64.06 -53.61 47.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.805 -177.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 10.4 pt-20 -61.28 -21.54 64.02 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 17' ' ' GLN . 14.4 mm-40 -77.76 -55.74 5.08 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.279 -0.168 . . . . 0.0 111.365 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 15' ' ' LEU . 55.2 p-90 -69.27 -22.31 63.83 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.749 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -66.35 -52.62 45.16 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.655 172.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -54.24 -45.37 72.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 109.998 177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.393 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.71 -18.82 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.764 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.48 -35.39 46.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 109.908 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pp -91.25 -15.32 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.817 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.05 -59.27 2.24 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.361 0.601 . . . . 0.0 109.983 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.941 179.762 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt . . . . . 0 C--O 1.234 0.286 0 CA-C-O 121.041 0.448 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 40' ' ' ASP . 37.2 ttt85 -95.99 115.36 65.5 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.078 -175.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.86 -36.37 50.85 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.627 2.218 . . . . 0.0 112.566 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.088 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -111.18 -60.3 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.323 175.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 34.7 Cg_exo -60.14 -61.65 0.19 Allowed 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.923 1.748 . . . . 0.0 112.509 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.552 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.0 mp -58.97 -37.02 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 34' ' ' ARG . 14.8 t70 -54.18 -71.27 0.08 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.878 -177.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -56.15 -45.98 79.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.217 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.8 m -60.04 -32.34 70.82 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -76.87 -39.9 49.43 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 110.213 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 177.525 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 tp . . . . . 0 N--CA 1.458 -0.04 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 ptp -140.04 139.65 36.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.245 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.456 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 62.6 mtt -116.54 118.44 32.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -87.86 102.58 14.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.599 HG21 HD13 ' A' ' 122' ' ' LEU . 21.3 t -103.85 102.89 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.67 0.271 . . . . 0.0 110.822 -177.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.657 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 35.1 m -73.23 98.88 2.72 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.983 0.42 . . . . 0.0 109.98 177.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' HB ' HD13 ' A' ' 80' ' ' ILE . 28.0 m -102.41 -37.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.522 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.746 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.8 t -66.05 -71.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -168.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.2 52.42 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.497 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 73' ' ' THR . 6.4 t30 -126.29 132.74 24.43 Favored Pre-proline 0 C--O 1.234 0.278 0 C-N-CA 123.224 0.609 . . . . 0.0 109.507 -177.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.23 -39.75 87.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.971 2.447 . . . . 0.0 113.125 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.8 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -75.6 133.41 40.91 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.729 0.299 . . . . 0.0 111.077 -177.284 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.62 -19.73 62.58 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.979 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.8 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 56.9 pttt -47.17 -54.92 9.49 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.489 ' HG2' ' HG3' ' A' ' 75' ' ' LYS . 6.5 mm-40 -64.02 -50.86 66.81 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 111.243 -171.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.746 ' HB ' ' HB2' ' A' ' 69' ' ' SER . 12.7 t -61.48 -36.72 81.24 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.416 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.23 -43.02 92.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 25.1 mm-40 -57.98 -62.12 2.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.706 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.439 HD13 ' HB ' ' A' ' 68' ' ' VAL . 15.2 tt -62.38 -40.38 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -66.89 -36.07 81.45 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.282 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.9 m -69.8 -40.0 76.24 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 110.484 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.2 -50.13 74.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.519 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.4 m0 -62.11 -45.02 95.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.791 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.424 ' HG3' ' HG3' ' A' ' 97' ' ' ARG . 51.9 tt0 -50.6 -48.07 57.93 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.856 0.36 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.68 -52.98 44.71 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.139 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -62.69 -33.09 74.37 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -174.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 79.7 mt -66.46 -47.7 72.3 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.891 0.377 . . . . 0.0 110.206 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -70.13 -26.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.546 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -27.76 65.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.18 0.514 . . . . 0.0 109.946 173.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.27 6.35 43.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.392 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 65.23 20.88 12.01 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.089 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.17 96.84 1.13 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -72.05 85.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.962 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.45 169.12 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.639 -174.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.826 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 14.8 mm100 -105.65 100.89 10.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.186 173.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.505 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -91.2 120.57 32.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.283 -178.649 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.438 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 85.5 m-85 -141.86 161.26 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.862 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.9 tt -127.58 104.35 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.205 0.526 . . . . 0.0 110.731 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 100' ' ' VAL . 5.9 p -114.8 106.57 20.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.19 102.64 1.86 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -168.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 m -44.06 -34.38 1.74 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -170.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.74 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 39.7 m-20 -76.0 -23.58 55.26 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -175.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 38.7 ptt180 -124.03 132.36 53.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 0.0 112.138 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.39 127.63 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 64' ' ' MET . 5.5 tt -99.49 114.36 37.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.305 0.574 . . . . 0.0 110.83 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.29 102.59 14.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.774 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.826 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 46.3 ttm -81.93 105.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 118' ' ' ILE . 65.9 mt -78.91 120.41 23.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.862 -177.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.21 -18.03 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.077 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -161.19 164.89 30.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.8 9.3 27.74 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-O 119.657 -0.524 . . . . 0.0 114.328 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 m -60.3 -27.09 67.03 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 117.996 0.898 . . . . 0.0 111.292 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -112.77 16.68 19.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.49 70.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.565 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 116' ' ' TRP . 0.0 OUTLIER -70.11 -29.41 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.429 -178.598 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.89 -48.71 52.23 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.878 0.371 . . . . 0.0 110.06 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.976 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.59 -45.89 81.13 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.65 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.891 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -52.23 -42.47 63.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.042 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.599 HD13 HG21 ' A' ' 66' ' ' VAL . 84.6 mt -65.42 -48.28 73.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.734 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 m -81.44 -3.44 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.876 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 m -60.28 -30.92 69.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.699 175.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -93.12 140.22 29.74 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.165 0.507 . . . . 0.0 110.352 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.92 0.22 21.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.505 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -92.53 7.28 43.87 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.44 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.42 112.28 23.84 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.32 -45.96 10.74 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 111.737 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.657 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 9.5 tp10 -145.28 146.79 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.205 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.529 HG23 HG22 ' A' ' 66' ' ' VAL . 3.9 p -148.16 103.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.268 0.556 . . . . 0.0 110.252 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -111.32 119.6 39.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.699 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.5 pp . . . . . 0 C--O 1.235 0.337 0 CA-C-O 120.933 0.397 . . . . 0.0 110.34 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.521 ' O ' ' HB3' ' A' ' 11' ' ' MET . 15.9 m120 -53.3 -58.31 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.829 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.579 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.8 t70 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.333 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.5 -68.5 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.93 -54.22 29.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.688 -171.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.521 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -70.69 -41.65 71.73 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.833 -170.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.92 -37.03 70.13 Favored 'General case' 0 N--CA 1.461 0.08 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.634 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -66.78 -32.43 73.71 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.012 0.434 . . . . 0.0 110.1 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.2 tp -71.56 -41.79 68.65 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 176.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.85 -4.04 57.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.702 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -48.79 -50.55 33.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.801 0.334 . . . . 0.0 110.606 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 23.1 tm0? -61.36 -41.63 97.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -61.71 -42.04 98.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.71 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.12 -44.98 62.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.005 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -66.1 -35.24 79.97 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.259 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.51 -50.8 69.96 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.257 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 38.7 t70 -60.83 -40.62 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.925 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.93 -43.42 86.26 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.368 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 20' ' ' LYS . 81.5 mt -61.95 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -77.45 -7.76 56.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.98 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 43.6 mt-10 . . . . . 0 N--CA 1.464 0.27 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 168.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.58 ' O ' ' HD3' ' A' ' 35' ' ' PRO . 34.8 ttpt . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 4.2 tmm_? -100.81 100.23 12.2 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 122.125 0.17 . . . . 0.0 110.72 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 53.1 Cg_endo -92.31 -2.62 3.93 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.255 2.637 . . . . 0.0 112.783 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 p -79.78 113.79 18.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.575 -174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.561 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -92.29 -50.1 0.3 Allowed Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 4.4 Cg_exo -77.13 101.04 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.129 1.886 . . . . 0.0 111.702 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 40' ' ' ASP . 2.7 pp -68.1 -16.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.315 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.494 ' N ' HD12 ' A' ' 39' ' ' ILE . 16.8 t70 -47.62 -56.02 8.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.95 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.83 -33.43 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.968 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -77.12 -31.2 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.902 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HB3' ' NZ ' ' A' ' 43' ' ' LYS . 8.0 mtpm? -90.5 -34.41 15.57 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.608 0.242 . . . . 0.0 111.409 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.111 -178.359 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -135.62 147.63 48.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.3 mtt -129.82 122.21 28.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -86.97 104.86 16.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG22 HG13 ' A' ' 131' ' ' VAL . 22.1 t -98.61 104.79 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.345 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -85.82 104.97 15.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.469 0.652 . . . . 0.0 109.661 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.656 HG11 HG21 ' A' ' 80' ' ' ILE . 17.2 t -102.61 -58.82 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.604 -172.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.541 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.2 t -72.25 -70.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.719 -171.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.96 -4.51 45.71 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.668 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.529 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 59.7 t30 -111.48 133.75 21.37 Favored Pre-proline 0 C--O 1.234 0.281 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.529 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 80.2 Cg_exo -48.56 -19.66 2.14 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.358 2.705 . . . . 0.0 114.052 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.641 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 77.1 p -67.87 100.53 0.96 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.817 0.341 . . . . 0.0 110.614 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -57.8 -28.87 64.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.641 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.9 ptmm? -47.18 -43.97 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.454 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.74 -53.09 61.62 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.417 ' HA ' HG22 ' A' ' 80' ' ' ILE . 14.7 t -70.81 -37.47 73.24 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.72 -176.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.63 -51.34 65.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.074 0.464 . . . . 0.0 110.337 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 45.7 mt-10 -61.81 -46.79 87.99 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.094 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.656 HG21 HG11 ' A' ' 68' ' ' VAL . 11.3 tp -65.96 -39.6 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.978 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.7 m -64.22 -38.76 92.2 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.821 0.343 . . . . 0.0 110.539 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.8 m -63.92 -40.01 95.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.427 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.1 mt -60.72 -49.61 76.81 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.19 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -60.48 -40.96 93.19 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.679 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 89' ' ' PHE . 1.1 tm0? -52.24 -52.16 54.17 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.12 95.27 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.345 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.421 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 40.3 m -75.55 -20.4 58.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -94.91 -46.52 6.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.095 0.474 . . . . 0.0 110.691 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 86.0 m-85 -81.83 -2.69 51.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.958 -173.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 36.2 p30 -74.5 -27.48 60.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -103.64 14.68 30.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.698 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 44.35 63.54 1.62 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.669 -1.151 . . . . 0.0 113.267 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -87.89 109.18 19.59 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.44 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 4.5 m-20 -69.05 81.75 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.452 0.644 . . . . 0.0 110.737 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.7 m -131.61 156.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.875 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -115.14 140.76 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.161 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.61 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -135.38 131.5 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.692 -174.13 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -119.58 127.9 53.4 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 99' ' ' ILE . 8.3 tp -91.35 91.59 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.816 0.817 . . . . 0.0 110.155 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.17 137.47 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.247 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.07 103.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -51.89 -15.98 0.62 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.541 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.5 p-10 -100.31 -20.92 15.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 111.58 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -135.8 177.46 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.634 0.731 . . . . 0.0 112.329 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.6 138.63 23.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.09 172.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.9 tt -105.54 122.23 58.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.252 0.548 . . . . 0.0 111.23 -176.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -102.85 108.95 20.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.97 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 61.3 ttp -92.7 108.2 19.8 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.5 mt -84.6 134.97 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.294 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 94' ' ' ASP . 98.8 mtt180 -74.96 -20.4 59.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.117 0.484 . . . . 0.0 110.045 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -159.85 151.81 20.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.431 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.86 5.52 82.06 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.407 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -52.71 -36.61 57.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.466 0.306 . . . . 0.0 111.785 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -112.19 16.89 19.93 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 110.508 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.64 -57.69 11.82 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -172.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -62.93 -40.87 98.93 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.25 -47.14 80.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.322 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 14.2 tt -65.44 -35.44 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 123' ' ' VAL . 12.9 ttmm -54.89 -61.93 1.99 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.964 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -63.59 -30.81 71.87 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.225 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -57.14 -47.87 80.09 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 66.7 mt -66.54 -35.81 81.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.038 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 119' ' ' LYS . 61.0 t -70.02 -26.53 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.162 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.5 m -63.4 -10.21 15.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -70.15 149.23 47.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -62.63 -38.38 90.01 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.483 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 5.3 tpm_? -62.6 -29.09 70.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.2 t 65.78 120.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.687 0.617 . . . . 0.0 110.666 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.92 134.1 47.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -86.5 116.91 24.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.309 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.536 HG13 HG22 ' A' ' 66' ' ' VAL . 38.6 t -98.39 97.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.219 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.2 p -93.63 123.07 36.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 133' ' ' LEU . 3.3 pp . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.549 0.214 . . . . 0.0 111.18 -176.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.7 t80 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 11' ' ' MET . 4.8 m-20 -54.76 -54.69 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.089 178.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 21.7 t70 -53.66 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.253 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.14 -65.67 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 111.495 -175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.14 -58.86 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.794 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.564 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 28.9 mmt -66.58 -24.43 66.34 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.285 -170.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -75.63 -64.68 1.02 Allowed 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.839 171.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.508 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 3.1 mmp_? -57.3 -12.57 2.5 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -174.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.9 mt -107.32 -52.51 2.75 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.5 18.19 12.84 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.6 -23.73 42.86 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.103 -0.373 . . . . 0.0 111.196 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -45.37 -48.71 13.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.113 0.483 . . . . 0.0 111.137 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -78.73 -43.67 25.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.469 -171.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -77.35 -27.84 52.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.042 0.449 . . . . 0.0 110.865 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -77.53 -37.36 51.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.27 -44.88 96.5 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -32.91 74.83 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.981 175.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.18 -38.57 91.53 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.058 0.456 . . . . 0.0 110.683 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.23 -26.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -76.02 -43.33 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.408 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.872 -175.686 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 65.2 tttp . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.502 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 20.6 tpp180 -55.82 113.73 6.21 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 122.363 0.265 . . . . 0.0 110.438 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.502 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 50.9 Cg_exo -55.06 -29.63 66.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.897 2.398 . . . . 0.0 112.726 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.414 ' OG ' HD12 ' A' ' 39' ' ' ILE . 25.4 p -100.45 108.67 20.72 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -61.38 -48.81 90.01 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.845 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 80.7 Cg_exo -47.82 -47.22 19.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 122.25 1.967 . . . . 0.0 112.763 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.414 HD12 ' OG ' ' A' ' 36' ' ' SER . 56.4 mt -65.05 -43.3 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.617 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' O ' HD13 ' A' ' 44' ' ' LEU . 32.4 t70 -59.12 -57.09 14.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.429 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -63.65 -29.08 70.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -63.16 -41.13 99.21 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.87 -44.18 90.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.075 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 40' ' ' ASP . 9.8 mp . . . . . 0 C--O 1.235 0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 63' ' ' MET . 5.9 tt . . . . . 0 C--O 1.234 0.284 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.582 ' N ' HD23 ' A' ' 62' ' ' LEU . 21.3 ptp -146.62 162.41 38.48 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.12 139.04 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 111.323 175.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -96.84 108.38 21.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.291 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 122' ' ' LEU . 17.9 t -96.28 106.68 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.783 -177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.732 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 22.8 m -78.06 101.65 7.06 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.602 HG11 HG21 ' A' ' 80' ' ' ILE . 18.7 t -102.34 -51.4 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.274 0.559 . . . . 0.0 111.334 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.4 t -76.26 -64.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.358 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.81 6.37 67.07 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -170.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 38.0 t30 -126.38 129.51 24.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.469 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 98.9 Cg_exo -46.73 -20.36 1.04 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.344 2.696 . . . . 0.0 114.292 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.409 HG23 ' HD3' ' A' ' 75' ' ' LYS . 30.5 m -57.21 100.48 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 13.3 mt-10 -50.76 -33.0 21.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.656 0.741 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.689 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 3.1 mptp? -63.75 -31.84 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.161 -168.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.22 -58.81 6.37 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.51 ' HA ' HG22 ' A' ' 80' ' ' ILE . 8.8 t -67.23 -35.82 80.36 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.468 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -55.5 -58.32 8.27 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.09 0.471 . . . . 0.0 110.638 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 42.1 mm-40 -65.15 -46.32 81.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.35 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.602 HG21 HG11 ' A' ' 68' ' ' VAL . 10.3 tp -65.66 -39.34 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.05 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -70.02 -31.76 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.27 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 t -64.73 -41.36 96.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 97.7 mt -61.04 -47.19 87.55 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.231 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.461 ' HE1' ' HG3' ' A' ' 125' ' ' GLN . 35.4 m0 -64.87 -38.56 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.751 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -56.97 -53.33 59.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.92 88.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.905 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -56.37 -46.6 79.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 111.22 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 96.5 mt -68.39 -34.37 75.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.66 -14.85 59.51 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.692 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.56 -42.27 18.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 172.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.15 53.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.442 176.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 67.39 76.52 0.28 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.525 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -134.22 105.38 6.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.785 173.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.24 91.06 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.087 0.47 . . . . 0.0 109.886 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.61 139.22 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.083 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -101.74 106.86 17.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.699 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -112.75 141.34 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.815 -175.371 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -135.9 149.67 49.06 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.03 0.443 . . . . 0.0 110.592 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.13 99.84 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.866 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 100' ' ' VAL . 15.1 m -125.38 101.69 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.311 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.82 104.33 2.05 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -170.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m -54.48 -14.77 1.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.539 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 9.0 p-10 -84.12 -25.07 29.98 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 120.892 0.377 . . . . 0.0 111.403 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -133.28 178.33 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.216 0.532 . . . . 0.0 111.789 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.28 139.24 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.15 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.4 tt -103.18 127.27 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.153 -177.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -109.25 115.94 30.96 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.756 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 81.9 mtp -102.33 120.65 40.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.396 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 118' ' ' ILE . 6.0 mp -100.28 163.33 12.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.474 HH11 ' HA ' ' A' ' 110' ' ' ARG . 9.4 mmm180 -97.63 -23.42 15.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.086 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.555 ' HB3' ' HE1' ' A' ' 114' ' ' TYR . 13.2 t70 -137.39 151.23 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.7 -8.86 59.15 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.858 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.4 t -72.9 -55.16 7.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 117.437 0.619 . . . . 0.0 110.356 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.555 ' HE1' ' HB3' ' A' ' 111' ' ' ASP . 33.1 p90 -73.8 0.2 13.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.701 0.286 . . . . 0.0 110.792 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . . . -59.42 -38.04 79.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 177.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -39.16 65.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.1 -51.57 69.17 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.444 0.465 . . . . 0.0 110.719 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.664 HG21 HD21 ' A' ' 109' ' ' LEU . 11.3 tt -65.27 -38.0 81.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -44.87 73.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 176.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.542 ' HA ' HG22 ' A' ' 123' ' ' VAL . 56.1 m-20 -67.55 -45.31 76.01 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.175 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.66 -41.77 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.456 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 66' ' ' VAL . 96.3 mt -67.34 -44.51 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.024 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.671 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 27.7 m -78.35 -12.39 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.45 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.2 m -85.11 -13.63 49.64 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.582 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.521 HE22 ' HB3' ' A' ' 127' ' ' ARG . 0.4 OUTLIER -76.05 126.62 31.34 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 175.705 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.52 -36.42 44.7 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -169.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.521 ' HB3' HE22 ' A' ' 125' ' ' GLN . 66.3 ttt180 -91.03 24.24 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.961 0.41 . . . . 0.0 111.445 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.671 ' SG ' ' HA ' ' A' ' 123' ' ' VAL . 42.5 t -74.43 94.56 2.59 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.022 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.49 5.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.22 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.732 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 4.9 tm-20 -151.94 144.88 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.453 HG23 HG22 ' A' ' 66' ' ' VAL . 4.4 p -144.89 104.82 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.26 0.552 . . . . 0.0 110.82 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 79.5 m -88.65 115.91 26.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.668 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 CA--C 1.534 0.344 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.832 -172.454 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.2 t80 . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.629 0.252 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.496 HD22 ' N ' ' A' ' 7' ' ' ASN . 0.8 OUTLIER -58.57 -62.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.199 -177.674 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -57.79 -55.74 31.02 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -54.2 45.62 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.131 -173.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.84 -46.63 68.02 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 29.0 mmt -63.32 -40.76 98.21 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.332 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 110.178 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -54.38 -42.4 70.31 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.83 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -84.39 -52.71 5.97 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.533 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.83 -31.11 70.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.73 -34.04 69.07 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.423 . . . . 0.0 110.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -62.89 -45.6 91.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.831 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -64.57 -41.88 95.99 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.28 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.47 -61.26 2.53 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.725 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -60.1 -49.2 78.59 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.65 -176.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -57.58 -41.24 80.73 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.217 0.532 . . . . 0.0 110.416 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.61 -53.27 60.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.203 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -77.77 -20.96 52.47 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.423 -175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 20' ' ' LYS . 53.3 mt -65.91 -45.41 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 174.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.77 -40.94 63.09 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.358 0.599 . . . . 0.0 109.706 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 . . . . . 0 CA--C 1.537 0.467 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.98 179.61 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.033 0.444 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -83.71 111.15 30.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -46.91 -38.85 24.07 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.337 2.691 . . . . 0.0 113.551 -173.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -87.01 112.12 21.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.4 -47.97 0.53 Allowed Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.695 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -81.1 40.17 0.96 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.204 1.936 . . . . 0.0 112.767 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.7 pt -56.17 -29.65 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.17 -41.64 84.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.395 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.34 -25.83 67.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.42 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -78.05 -39.7 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.56 97.82 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.99 -179.46 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.703 HD23 HD12 ' A' ' 109' ' ' LEU . 57.2 tp . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.8 mtm -127.82 138.28 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.447 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 63.5 mtt -128.21 120.33 27.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.246 178.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.84 101.62 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 122' ' ' LEU . 17.1 t -95.63 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.628 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.7 m -72.85 103.42 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.55 HG11 HG21 ' A' ' 80' ' ' ILE . 26.2 t -100.05 -43.65 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.542 . . . . 0.0 110.463 -174.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 37.7 t -91.39 -63.91 1.19 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.274 -175.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.503 ' H ' ' HB2' ' A' ' 103' ' ' ASP . . . 87.43 -11.01 67.08 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.433 -171.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.502 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 3.7 p-10 -126.17 151.44 71.97 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.32 -15.23 47.43 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.071 3.181 . . . . 0.0 116.734 -166.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.502 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -68.55 162.13 26.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.505 1.048 . . . . 0.0 112.278 -163.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -87.15 -17.95 31.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.555 -175.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.42 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 59.2 mttt -56.14 -73.12 0.06 Allowed 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.856 0.836 . . . . 0.0 110.989 -173.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 1.3 pm0 -55.61 -45.21 77.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.995 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -63.85 -42.74 97.49 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.015 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.52 -49.15 74.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.113 0.482 . . . . 0.0 109.784 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -50.52 73.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.675 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.55 HG21 HG11 ' A' ' 68' ' ' VAL . 11.3 tp -72.07 -40.61 67.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.358 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 m -64.15 -40.15 95.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.0 p -68.12 -39.03 82.86 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.44 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.29 -58.48 7.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.744 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -64.52 -34.77 79.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.8 -35.73 71.23 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.102 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.53 -61.29 2.99 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.112 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -57.34 -50.05 74.2 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.64 -38.79 84.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.794 0.33 . . . . 0.0 111.492 -173.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.09 -32.46 39.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.597 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -75.44 -22.09 57.63 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 109.999 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.06 2.99 40.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.461 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.549 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER 66.92 44.41 2.03 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.755 173.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -90.46 164.14 14.38 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.69 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 4.5 p30 -92.99 15.97 13.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.701 HG12 HD22 ' A' ' 109' ' ' LEU . 18.0 m -87.18 132.85 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -173.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -113.6 142.34 46.09 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.549 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -117.66 143.53 46.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.487 -177.211 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -142.54 150.3 40.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.185 173.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -111.11 114.24 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.262 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 100' ' ' VAL . 7.5 p -146.07 106.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 176.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.65 87.02 0.61 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 -162.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.0 p -48.06 -32.28 6.51 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.704 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.9 p-10 -67.91 -21.5 65.13 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 120.789 0.328 . . . . 0.0 111.425 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -129.1 122.36 29.76 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 110.742 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 127.5 38.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -97.91 131.67 44.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.441 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -117.25 125.96 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.127 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 56.3 mtm -107.79 112.51 25.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 62' ' ' LEU . 18.0 mt -91.53 131.83 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.419 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 37.3 mtp180 -83.17 -25.54 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 0.0 109.762 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -131.58 165.74 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.272 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.05 -3.2 39.12 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.208 -175.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -61.61 -34.77 76.21 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.959 0.379 . . . . 0.0 111.784 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -103.59 11.81 35.73 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.601 0.239 . . . . 0.0 110.605 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.5 -65.29 0.62 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.945 0.402 . . . . 0.0 112.036 -175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -33.46 75.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.09 -50.13 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.326 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.592 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 11.2 tt -67.95 -36.96 77.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.722 ' HG2' HG11 ' A' ' 131' ' ' VAL . 1.2 tmmt? -52.49 -54.73 28.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.087 0.47 . . . . 0.0 110.336 177.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.568 ' HA ' HG22 ' A' ' 123' ' ' VAL . 18.9 m-20 -66.38 -35.33 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.676 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.96 -40.4 84.59 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 110.47 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.633 HD13 HG21 ' A' ' 66' ' ' VAL . 88.0 mt -68.72 -46.94 67.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.781 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 120' ' ' ASP . 19.0 m -70.74 -24.92 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.6 t -80.64 -3.65 51.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.464 ' HG2' HD11 ' A' ' 80' ' ' ILE . 6.2 tp-100 -60.39 151.75 27.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.557 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.03 -43.28 63.65 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 122.754 0.422 . . . . 0.0 111.59 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 53.1 tpt85 -67.97 -18.7 64.82 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.318 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m 61.52 79.75 0.24 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 110.345 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.92 129.88 37.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.552 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -92.66 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.154 0.502 . . . . 0.0 110.134 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.722 HG11 ' HG2' ' A' ' 119' ' ' LYS . 7.7 p -95.45 139.32 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.365 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.3 m -125.32 130.48 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.195 173.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.447 ' HG ' ' HG2' ' A' ' 64' ' ' MET . 7.2 mp . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.594 -176.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 26.5 t80 . . . . . 0 C--O 1.23 0.075 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.02 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.337 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.15 -59.53 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.645 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -66.07 -56.03 13.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 16.0 t70 -69.12 -39.88 78.65 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.926 -172.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.425 ' O ' HD13 ' A' ' 15' ' ' LEU . 26.2 mmt -69.17 -36.68 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.231 178.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -57.99 -47.36 83.24 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 175.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 21.0 mtm180 -64.94 -39.04 92.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.995 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.07 -52.11 64.02 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.027 0.441 . . . . 0.0 109.867 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 10.4 mp -67.97 -28.77 67.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 11.0 tm-20 -54.38 -35.78 63.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 89.6 mt-30 -57.59 -48.09 80.33 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.407 178.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.627 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 74.1 m95 -66.46 -39.35 88.77 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 13.6 mm-40 -58.95 -51.94 67.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.511 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 17' ' ' GLN . 21.1 ptmt -66.72 -40.35 88.37 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.142 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -58.69 -40.52 83.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.096 0.474 . . . . 0.0 109.932 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 30.5 t70 -65.68 -39.84 91.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 178.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.0 -40.82 96.98 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.738 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 20' ' ' LYS . 78.2 mt -73.01 -57.86 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.636 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -95.04 -20.36 19.4 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -171.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 44.7 mt-10 . . . . . 0 N--CA 1.469 0.493 0 C-N-CA 122.984 0.514 . . . . 0.0 111.843 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt . . . . . 0 C--O 1.233 0.232 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -50.23 116.13 6.22 Favored Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.917 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.93 -14.58 23.85 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.496 2.131 . . . . 0.0 111.235 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.8 t -129.18 126.88 40.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.517 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -74.98 -47.59 4.71 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.234 -177.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 54.5 Cg_endo -68.19 88.81 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 121.826 1.684 . . . . 0.0 111.986 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 pt -63.03 -18.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.745 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.99 -60.06 3.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.585 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.438 ' HD1' ' HB2' ' A' ' 38' ' ' PRO . 92.3 m-85 -62.41 -35.6 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.814 -177.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.5 t -66.63 -32.07 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.54 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -79.17 -47.69 15.58 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp . . . . . 0 N--CA 1.467 0.42 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.361 -178.292 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.7 ptp -128.03 150.1 50.08 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 174.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG2' HD23 ' A' ' 133' ' ' LEU . 57.5 mtt -125.6 146.39 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.659 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 132' ' ' THR . 97.5 m-85 -109.11 110.2 21.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG21 HD13 ' A' ' 122' ' ' LEU . 32.9 t -99.55 101.81 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.364 -177.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 130' ' ' GLU . 7.5 t -84.55 109.73 18.17 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.5 0.667 . . . . 0.0 110.004 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.756 HG11 HG21 ' A' ' 80' ' ' ILE . 38.4 t -103.29 -60.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.534 -172.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -78.83 -58.41 3.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.381 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.88 0.14 84.27 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -173.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 5.1 p-10 -126.13 145.76 53.46 Favored Pre-proline 0 C--O 1.234 0.287 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 71' ' ' ASN . 34.6 Cg_exo -59.54 -19.88 54.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.361 2.707 . . . . 0.0 114.337 -170.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.492 HG21 ' NZ ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -60.39 108.14 0.77 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.039 0.447 . . . . 0.0 110.335 -178.073 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -63.09 -37.23 86.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.579 -169.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.492 ' NZ ' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER -58.98 -25.3 63.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -167.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.65 -71.09 0.16 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.611 ' HA ' HG22 ' A' ' 80' ' ' ILE . 87.0 m -65.42 -30.59 71.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 -176.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -59.44 -55.58 32.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.104 0.478 . . . . 0.0 110.508 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.94 -44.66 84.43 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.583 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.756 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -63.26 -36.87 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.543 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.5 m -67.18 -36.56 82.03 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.207 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 66.3 m -59.19 -44.22 92.2 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.142 0.496 . . . . 0.0 110.288 175.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 80' ' ' ILE . 88.2 mt -62.96 -49.48 74.56 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.388 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.511 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 m0 -59.01 -55.36 36.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.382 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 82' ' ' SER . 1.2 pp0? -55.54 -40.72 72.23 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.28 97.1 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.692 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.458 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 25.3 t -76.82 -17.15 59.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.255 0.222 . . . . 0.0 111.308 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 97.8 mt -90.95 -41.26 11.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 111.128 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 35.7 m-85 -75.79 -17.54 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 11.1 p30 -74.97 -20.75 59.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.09 8.39 44.62 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.488 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.1 t30 51.61 77.4 0.14 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.341 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -109.41 132.99 53.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 172.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 110' ' ' ARG . 23.4 p-10 -89.41 41.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.557 0.694 . . . . 0.0 110.581 -175.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.447 HG12 ' HG ' ' A' ' 109' ' ' LEU . 27.3 m -87.69 133.47 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.718 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' HA ' ' OE1' ' A' ' 96' ' ' GLN . 14.0 mm-40 -100.51 110.23 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.265 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.591 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -113.29 128.07 56.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.12 -170.595 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -140.55 159.37 42.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.406 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' A' ' 102' ' ' SER . 10.0 tt -114.48 110.07 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.217 0.532 . . . . 0.0 110.57 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 100' ' ' VAL . 15.4 m -119.6 105.33 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.287 177.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.45 101.52 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -171.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.458 ' HA ' HD11 ' A' ' 99' ' ' ILE . 47.9 t -41.79 -30.65 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.4 -35.31 62.73 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.96 0.41 . . . . 0.0 111.575 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.492 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -144.5 149.99 36.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.193 0.52 . . . . 0.0 111.656 -173.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.36 136.78 49.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.381 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tt -93.94 113.81 29.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.674 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.42 102.78 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.678 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.3 mtm -87.67 133.96 33.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.555 HD21 HG21 ' A' ' 118' ' ' ILE . 6.5 mp -111.32 120.01 40.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.455 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 55.5 ttp180 -73.93 -38.32 64.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -112.47 111.55 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.153 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.9 22.75 34.44 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 121.168 -0.539 . . . . 0.0 113.02 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.1 t -70.74 -45.93 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.001 0.401 . . . . 0.0 110.153 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -89.35 21.81 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.2 -45.96 72.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.749 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -67.97 -33.06 73.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -71.43 -47.86 53.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.555 HG21 HD21 ' A' ' 109' ' ' LEU . 11.9 tt -65.1 -39.35 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.446 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.42 -52.95 63.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.73 -38.49 69.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.456 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.79 -50.76 72.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.836 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.529 HD13 HG21 ' A' ' 66' ' ' VAL . 86.4 mt -63.31 -37.19 86.28 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 66.3 t -74.37 -31.12 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.44 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -73.36 -0.36 14.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.294 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.435 ' HG3' ' H ' ' A' ' 127' ' ' ARG . 6.1 tp-100 -57.05 150.64 16.68 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -58.78 -33.51 70.41 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 110.718 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.435 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 23.4 ttm180 -84.52 -12.68 53.74 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.0 m 57.0 87.79 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.51 148.96 26.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.836 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.446 ' HB2' HG23 ' A' ' 67' ' ' THR . 40.4 mt-10 -94.76 113.86 25.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.639 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 39.3 t -105.68 117.97 52.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.606 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 65' ' ' PHE . 11.8 t -112.89 147.99 35.88 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.485 HD23 ' HG2' ' A' ' 64' ' ' MET . 89.2 mt . . . . . 0 C--O 1.235 0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.971 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' MET . 14.3 m120 -55.37 -64.17 0.93 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.477 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.14 -57.3 12.31 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.727 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.43 -66.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 111.766 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -69.01 -43.72 74.22 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.06 -171.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 15' ' ' LEU . 43.0 ttm -74.03 -37.42 64.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -174.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.39 80.39 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.735 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -38.36 85.64 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.2 tp -67.2 -44.7 78.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.082 0.467 . . . . 0.0 110.404 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.511 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 9.7 mp -78.81 -7.54 57.94 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.168 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -48.47 -42.2 31.95 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.922 0.489 . . . . 0.0 110.941 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.11 -45.15 93.36 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.852 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.511 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 92.8 m95 -66.29 -40.04 89.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 -177.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.07 71.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' HG13 ' A' ' 24' ' ' ILE . 23.8 tptp -69.36 -39.8 77.89 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 11.8 m-20 -62.55 -37.84 87.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.62 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 14.8 t70 -58.72 -46.06 88.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.491 176.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.87 -43.9 77.58 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.6 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 20' ' ' LYS . 73.8 mt -62.32 -37.97 80.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.403 178.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 45.0 mt-10 -72.61 -30.08 64.05 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.422 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 46.0 mt-10 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.667 0.27 . . . . 0.0 110.551 178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -53.24 122.25 29.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.99 0.57 4.88 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.864 2.376 . . . . 0.0 113.04 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -68.9 107.35 3.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.57 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -85.1 -47.98 0.62 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.879 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 23.6 Cg_endo -60.35 124.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 121.75 1.634 . . . . 0.0 111.775 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.2 tt -78.7 1.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.878 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 5.7 m-20 -45.4 -33.98 2.85 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.051 0.541 . . . . 0.0 112.049 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -54.43 -54.39 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 110.679 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -83.5 -27.45 29.4 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.351 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.525 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 23.3 tptm -62.8 -51.77 65.78 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.267 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.648 179.504 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.466 ' HG ' HD23 ' A' ' 109' ' ' LEU . 42.4 tp . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.211 0.529 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 15.7 ptp -134.83 137.51 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.911 172.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.4 ' HB2' HG12 ' A' ' 131' ' ' VAL . 10.7 ptm -139.95 128.45 22.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.682 -173.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.37 115.38 23.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.48 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 HD13 ' A' ' 122' ' ' LEU . 26.3 t -96.7 106.59 18.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.3 t -89.47 110.65 21.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.237 0.542 . . . . 0.0 109.893 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.718 HG11 HG21 ' A' ' 80' ' ' ILE . 48.4 t -101.82 -56.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.738 -176.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.734 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 19.8 m -61.53 -50.58 72.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.565 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.25 -4.1 5.13 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.668 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 65.7 t30 -127.97 142.25 43.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 124.407 1.083 . . . . 0.0 108.393 -173.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.668 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 24.7 Cg_exo -39.06 -17.09 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 124.128 3.219 . . . . 0.0 115.83 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 71' ' ' ASN . 2.2 t -63.72 128.57 36.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.385 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -79.53 -24.36 42.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.726 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 2.6 mptp? -58.62 -48.19 81.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.3 -165.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.556 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.8 mm-40 -58.49 -62.82 1.57 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.158 0.504 . . . . 0.0 110.68 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 m -59.84 -37.6 79.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.832 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.79 -52.83 54.75 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.575 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 8.7 mm-40 -59.87 -48.0 83.47 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.718 HG21 HG11 ' A' ' 68' ' ' VAL . 11.4 tp -66.34 -38.28 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.841 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.7 m -64.93 -34.04 77.46 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.69 0.281 . . . . 0.0 110.293 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.6 t -64.46 -45.03 89.17 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.394 0.616 . . . . 0.0 109.626 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.599 HD12 HD12 ' A' ' 80' ' ' ILE . 78.7 mt -57.21 -38.72 74.13 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.947 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.722 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 28.7 m0 -74.54 -31.51 62.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.437 ' OE1' ' HD2' ' A' ' 97' ' ' ARG . 7.9 tp60 -58.03 -35.57 71.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.93 -50.92 4.7 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.452 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.562 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 61.5 m -61.38 -58.28 8.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.09 -35.19 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.739 0.304 . . . . 0.0 111.438 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HZ ' HH11 ' A' ' 97' ' ' ARG . 12.5 m-85 -78.12 -34.44 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.562 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 8.0 p30 -70.19 -23.4 62.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.01 4.22 23.66 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.384 173.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 75.03 18.46 2.52 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.667 0.787 . . . . 0.0 112.313 173.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -95.72 92.8 6.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.14 79.31 2.29 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.323 0.582 . . . . 0.0 109.631 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -94.14 143.59 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.983 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 90.1 mm-40 -100.44 100.58 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.287 0.565 . . . . 0.0 109.825 -177.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.602 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -107.69 131.2 54.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.7 -174.488 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.403 ' O ' HG22 ' A' ' 106' ' ' ILE . 49.6 m-85 -128.4 125.92 39.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 99' ' ' ILE . 11.6 tt -80.37 89.59 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.73 0.776 . . . . 0.0 110.361 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.24 117.01 52.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.968 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.97 102.85 0.73 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -167.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -45.65 -29.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -170.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.734 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 5.2 p-10 -85.07 -11.25 55.72 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -145.31 154.9 42.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.303 0.573 . . . . 0.0 112.124 -172.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.09 128.69 48.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.217 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 9.2 tt -85.18 121.35 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.997 0.427 . . . . 0.0 110.543 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.336 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.507 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 44.7 ttm -99.48 123.9 44.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.225 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.466 HD23 ' HG ' ' A' ' 62' ' ' LEU . 2.7 mm? -102.24 151.59 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.584 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -73.12 -43.4 61.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -145.18 175.97 9.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.98 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.98 16.32 15.78 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.714 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 m -63.88 -34.33 77.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.378 0.589 . . . . 0.0 110.805 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -108.86 18.0 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.42 80.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.377 -175.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -29.77 63.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.992 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.28 -53.46 43.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.219 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.603 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.4 tt -64.86 -38.67 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.24 -49.39 76.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.817 0.341 . . . . 0.0 110.251 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.494 ' HA ' HG22 ' A' ' 123' ' ' VAL . 15.4 t70 -60.89 -42.27 97.65 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.96 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -56.45 -42.25 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 78.4 mt -72.13 -43.43 64.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.512 -177.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 120' ' ' ASP . 18.6 m -75.39 -26.74 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 -177.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.7 m -81.95 -0.8 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.377 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.722 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 15.7 mm100 -63.68 162.08 13.83 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.77 177.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.32 -34.69 48.14 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.837 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -87.36 -12.85 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.944 -177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 123' ' ' VAL . 55.8 m 54.28 76.83 0.22 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.139 0.495 . . . . 0.0 110.469 -175.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.18 128.68 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.74 148.21 26.48 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 64' ' ' MET . 20.5 t -126.57 121.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -176.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.4 p -98.71 113.02 24.92 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.086 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 133' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.878 0 N-CA-C 112.289 -0.324 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -96.94 -21.85 17.21 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.95 0.405 . . . . 0.0 110.353 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tt -139.86 120.95 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.136 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.8 mmt-85 -67.58 -53.29 29.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -49.38 -52.5 27.99 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.889 0.743 . . . . 0.0 112.227 -169.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -66.06 -47.02 75.69 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.226 -175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 11' ' ' MET . 97.7 m-20 -57.27 -65.75 0.57 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.571 -177.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -50.24 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.076 -174.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -67.57 0.39 Allowed 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -66.65 -44.55 81.58 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.405 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.477 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.8 ttm -69.5 -34.93 75.01 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.796 -175.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.17 86.28 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.172 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -60.4 -33.05 71.93 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.436 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.7 tp -74.91 -43.21 55.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.504 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 94.0 mt -85.95 -0.83 56.45 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -177.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -47.78 -46.05 29.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.954 0.502 . . . . 0.0 110.878 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.68 -42.46 97.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.484 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 85.3 m95 -67.78 -42.26 81.93 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.134 0.493 . . . . 0.0 109.874 -178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.37 -36.97 85.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.275 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.13 -47.21 87.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.787 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -56.67 -51.43 68.77 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.411 177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -59.42 -34.54 72.6 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -74.77 -43.56 54.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.796 -173.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.9 pp -78.14 -21.87 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.65 -45.69 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.571 . . . . 0.0 109.628 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 60.78 12.2 3.63 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.31 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.89 23.19 78.21 Favored Glycine 0 C--N 1.331 0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 113.329 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -85.84 118.8 25.55 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 117.12 0.46 . . . . 0.0 110.316 177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.472 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 2.8 mm? -80.59 121.19 81.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.601 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 11.4 Cg_endo -89.91 148.63 4.82 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.094 2.529 . . . . 0.0 111.384 175.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -78.32 -3.99 45.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 0.0 110.76 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -85.78 105.65 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.316 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.4 tttp -89.84 169.01 11.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.152 174.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.521 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 8.4 tpp180 -53.65 113.57 5.06 Favored Pre-proline 0 CA--C 1.535 0.383 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 59.5 Cg_endo -70.59 -20.4 30.97 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.408 2.072 . . . . 0.0 112.363 -176.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.0 m -81.15 108.54 14.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.416 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -80.31 -48.29 1.27 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.694 175.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 3.9 Cg_exo -78.58 100.63 1.38 Allowed 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.151 1.901 . . . . 0.0 111.339 174.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.95 -19.81 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 121.079 0.466 . . . . 0.0 110.604 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 13.0 m-20 -51.04 -26.99 6.99 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.262 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -57.69 -54.05 51.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.72 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -81.65 -24.53 36.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.214 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.603 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 36.2 ttmt -64.85 -55.23 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.291 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.43 -49.14 7.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.014 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.0 t70 58.33 91.06 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.725 -169.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.11 -37.83 4.86 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.026 3.151 . . . . 0.0 114.329 -172.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.42 -31.75 4.72 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.482 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -61.7 113.54 8.6 Favored Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.597 ' O ' HG12 ' A' ' 52' ' ' ILE . 98.8 Cg_endo -78.44 70.0 7.43 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.434 2.089 . . . . 0.0 111.819 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -53.21 -25.72 15.01 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.053 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.4 m -49.76 -35.2 21.54 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.567 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 49' ' ' PRO . 25.2 pt -67.26 -38.36 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' HA ' HG22 ' A' ' 56' ' ' THR . 62.0 tp -68.52 -35.73 77.88 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.191 0.52 . . . . 0.0 109.615 178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 54' ' ' LYS . 3.3 mmmp? -74.28 -26.24 60.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.726 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -89.81 -22.54 22.05 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.69 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 53' ' ' LEU . 14.5 t -85.15 146.36 27.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.279 0.561 . . . . 0.0 111.507 -177.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -150.2 154.65 38.35 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.926 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -59.13 146.5 38.55 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.78 48.02 0.34 Allowed Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 121.264 -0.493 . . . . 0.0 111.888 -176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -79.68 99.23 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.131 0.491 . . . . 0.0 109.743 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 t -98.97 24.39 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.745 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -79.56 113.13 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 108' ' ' MET . 1.7 pmm? -114.47 160.51 19.11 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 121.249 0.547 . . . . 0.0 110.972 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 31.5 mtt -108.16 122.09 46.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.919 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' HE2' ' HA ' ' A' ' 134' ' ' GLU . 91.9 m-85 -80.98 101.05 9.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 130' ' ' GLU . 34.5 t -100.44 99.21 8.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.659 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 27.8 m -78.2 95.14 4.89 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.913 HG11 HG21 ' A' ' 80' ' ' ILE . 25.6 t -85.82 -60.8 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.729 -171.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.0 m -77.91 -70.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.17 -171.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.16 9.42 80.12 Favored Glycine 0 CA--C 1.516 0.14 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -171.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.414 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 9.1 t30 -126.65 133.25 24.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 123.529 0.731 . . . . 0.0 109.43 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -42.01 -34.56 2.7 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.964 3.109 . . . . 0.0 115.301 -172.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.671 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 72.9 p -65.24 102.11 0.62 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.79 0.329 . . . . 0.0 111.482 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.64 -24.12 63.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.083 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.671 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.9 ptmm? -47.88 -48.41 31.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.445 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 75.9 mm-40 -56.85 -48.84 77.15 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.109 0.48 . . . . 0.0 110.622 -175.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.7 m -63.93 -43.71 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.821 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.42 -46.94 86.28 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.76 0.314 . . . . 0.0 110.362 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 47.2 mt-10 -56.9 -57.51 12.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.35 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.913 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -64.21 -37.52 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.218 -175.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -69.13 -35.53 76.49 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.504 0.193 . . . . 0.0 111.045 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.7 p -73.27 -31.63 64.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 94.0 mt -63.78 -45.21 90.77 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 173.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -61.16 -45.42 94.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.245 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.64 -34.4 64.9 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.14 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.12 -65.4 2.62 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.78 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.7 m -52.43 -46.94 66.61 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.92 -54.04 50.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.963 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.45 -30.49 71.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.728 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.457 HD22 ' N ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -71.27 -27.15 63.24 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.27 13.8 16.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.872 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 20.8 m120 69.31 17.56 8.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.806 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -95.54 89.44 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.421 ' HB3' ' NH2' ' A' ' 110' ' ' ARG . 28.7 t70 -84.04 103.02 12.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.07 168.92 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.124 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 15.9 mm100 -100.56 133.79 44.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.477 ' NH1' ' HA ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -141.15 124.28 16.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -175.43 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -135.22 149.06 49.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.018 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 tt -108.03 90.4 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.48 0.657 . . . . 0.0 110.543 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 100' ' ' VAL . 16.7 m -116.57 108.82 26.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 105.07 2.71 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -167.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.6 m -40.47 -30.24 0.11 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -100.93 -22.66 14.73 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.767 0.318 . . . . 0.0 111.709 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.2 mmm-85 -97.38 112.4 24.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -170.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.14 116.07 31.96 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 172.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 106' ' ' ILE . 45.2 pt -96.4 121.16 46.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.185 0.517 . . . . 0.0 111.31 -177.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -102.82 102.3 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.339 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.487 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.4 ttm -87.58 120.37 28.81 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.829 178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.3 mt -98.19 128.42 44.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.198 -176.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 94' ' ' ASP . 37.5 ptt180 -86.84 -7.28 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 171.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -115.23 -169.61 1.6 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.292 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.17 -35.12 0.02 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.366 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.4 m -51.85 -45.21 63.94 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.404 ' HB2' ' HB3' ' A' ' 117' ' ' GLU . 55.2 p90 -99.99 26.66 6.17 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.42 68.29 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.924 0.392 . . . . 0.0 111.496 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -74.32 -21.8 59.54 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.125 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 114' ' ' TYR . 0.6 OUTLIER -70.21 -52.0 26.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.489 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 tt -65.68 -38.82 83.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.088 176.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.407 ' HZ2' HG12 ' A' ' 131' ' ' VAL . 24.5 ttmm -57.26 -41.73 80.21 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.159 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.3 -49.53 77.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.721 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.84 -37.03 63.19 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.085 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 86.0 mt -69.75 -54.35 14.12 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.918 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 29.1 m -75.98 -5.88 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.653 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.6 t -63.33 -13.01 34.34 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.657 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.645 HE22 HD11 ' A' ' 80' ' ' ILE . 80.4 mt-30 -79.74 153.88 28.94 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.709 0.29 . . . . 0.0 111.062 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.37 -42.66 64.13 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.993 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 128' ' ' CYS . 19.1 mtp180 -67.07 -25.09 66.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.349 -177.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 127' ' ' ARG . 42.7 t 71.0 -60.68 0.5 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.387 0.675 . . . . 0.0 111.198 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.6 161.82 0.24 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.099 0.56 . . . . 0.0 111.611 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 16.0 tt0 -85.66 113.62 22.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.943 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.544 HG22 HG13 ' A' ' 66' ' ' VAL . 49.1 t -117.18 97.46 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 65' ' ' PHE . 25.0 p -107.61 160.15 15.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.519 -177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.819 HD12 ' HA ' ' A' ' 137' ' ' MET . 77.6 mt -101.62 146.7 27.35 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.42 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 1.5 tm-20 -58.55 117.89 5.02 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.59 -101.12 2.76 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.243 -0.504 . . . . 0.0 111.989 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -123.56 155.2 38.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.753 0.311 . . . . 0.0 110.593 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.819 ' HA ' HD12 ' A' ' 133' ' ' LEU . 27.5 ttt -100.49 99.74 10.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.222 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 8.9 p90 -123.4 117.12 28.02 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.475 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 138' ' ' TYR . 13.6 Cg_exo -70.66 -27.96 21.55 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.736 2.291 . . . . 0.0 111.693 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 150.77 -55.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 20.7 pttp . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.571 -0.728 . . . . 0.0 109.89 177.35 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.874 0 CA-C-O 120.214 -0.214 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -125.29 -95.05 0.47 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 117.078 0.439 . . . . 0.0 111.835 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mm -77.49 -75.55 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -168.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -60.67 -32.83 72.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.797 -176.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.3 m-20 -58.88 -49.72 76.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.104 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.457 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 10.5 t80 -54.94 -48.89 72.56 Favored 'General case' 0 C--N 1.335 -0.048 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.24 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -55.68 -70.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.624 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -62.05 -57.16 12.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.247 -174.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 5' ' ' ASP . . . -63.64 -47.43 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 34.3 t70 -76.66 -47.82 20.93 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.758 -174.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.9 mmt -60.86 -32.64 72.06 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.91 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -63.71 -58.78 5.83 Favored 'General case' 0 C--O 1.226 -0.173 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 172.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -53.11 -27.54 21.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.78 -37.09 16.89 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.608 0.242 . . . . 0.0 111.136 176.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 18' ' ' TRP . 8.1 mp -110.52 25.95 11.21 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.954 0.354 . . . . 0.0 111.954 -175.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ALA . 53.4 mt-10 -49.59 -22.83 1.4 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -52.38 -59.14 4.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.097 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.468 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 34.8 p-90 -68.83 -36.42 78.17 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.365 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.25 -62.37 1.89 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-O 121.303 0.573 . . . . 0.0 110.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' O ' HG13 ' A' ' 24' ' ' ILE . 38.4 ttmt -58.9 -47.65 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.302 -178.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.42 -39.04 82.19 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.97 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.24 -47.94 80.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.122 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.77 -37.49 84.5 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.691 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 20' ' ' LYS . 77.3 mt -64.92 -32.69 59.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -82.68 -26.18 32.31 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.987 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 34.6 tt0 -68.59 167.48 14.96 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.987 0.423 . . . . 0.0 111.104 -177.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 92.12 54.75 1.82 Allowed Glycine 0 C--N 1.333 0.379 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.616 178.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -148.13 168.0 23.57 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 29' ' ' LEU . 3.7 pp -118.3 145.93 38.29 Favored Pre-proline 0 C--O 1.236 0.364 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.603 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -82.99 -159.43 0.1 Allowed 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.955 2.437 . . . . 0.0 112.443 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.28 1.02 52.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.281 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -104.9 119.12 38.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.236 175.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -84.56 -178.31 6.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.358 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -49.34 106.09 0.59 Allowed Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.813 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -87.61 0.36 7.22 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.918 2.412 . . . . 0.0 113.17 -173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.5 p -70.9 109.01 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.507 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.582 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -66.66 -49.29 51.05 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.87 176.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 5.1 Cg_exo -74.84 107.06 2.39 Favored 'Trans proline' 0 C--N 1.361 1.194 0 C-N-CA 122.1 1.867 . . . . 0.0 111.103 175.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.4 pt -70.41 -6.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.074 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.629 ' HA ' HD13 ' A' ' 44' ' ' LEU . 5.4 m-20 -48.96 -44.88 41.19 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.402 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -61.81 -51.08 69.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.766 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.1 m -76.86 -22.72 53.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.357 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -95.23 -43.31 8.13 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 110.576 -177.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 40' ' ' ASP . 6.9 mp -92.0 -35.06 14.18 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -175.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 56.81 90.38 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.546 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -171.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.24 -66.44 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.72 2.28 . . . . 0.0 112.982 -175.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.9 11.99 55.99 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.722 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -67.38 144.03 97.7 Favored Pre-proline 0 C--O 1.236 0.354 0 C-N-CA 122.795 0.438 . . . . 0.0 111.334 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.6 106.14 2.15 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.435 2.09 . . . . 0.0 110.818 172.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -80.97 19.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.295 0.569 . . . . 0.0 111.115 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.2 t -56.15 -31.34 63.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.39 174.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.418 HD13 ' H ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.25 -33.91 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 176.298 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.8 tp -70.56 -33.68 71.37 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.72 -42.96 99.65 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 173.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 72.4 mtm -73.24 -20.46 60.85 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.072 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.2 m -68.76 99.06 0.97 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 110.328 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -146.57 109.51 4.65 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.5 113.58 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.893 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 55.62 41.85 83.08 Favored Glycine 0 C--N 1.334 0.441 0 O-C-N 123.64 0.588 . . . . 0.0 113.582 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -149.45 110.79 4.43 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.2 m -122.82 -31.28 3.7 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 120.805 0.336 . . . . 0.0 111.833 -175.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 tt -104.54 122.65 46.02 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -174.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.4 mtm -126.37 129.2 48.33 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 120.955 0.407 . . . . 0.0 110.68 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.501 ' HG2' HD23 ' A' ' 133' ' ' LEU . 61.5 mtt -111.3 127.21 55.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.438 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.68 108.62 21.28 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 173.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.574 HG21 HD13 ' A' ' 122' ' ' LEU . 46.7 t -107.56 105.36 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.854 0.359 . . . . 0.0 110.955 -177.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.736 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 24.5 m -71.53 113.16 8.28 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 173.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.872 HG11 HG21 ' A' ' 80' ' ' ILE . 58.5 t -101.28 -60.85 2.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.31 0.576 . . . . 0.0 111.096 -173.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.9 m -84.79 -46.1 11.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.032 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.21 -4.21 41.82 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.789 -175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.615 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.8 p-10 -127.25 161.54 53.66 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.615 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 33.3 Cg_endo -61.91 -17.06 53.49 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.382 2.721 . . . . 0.0 115.36 -170.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.417 HG23 ' HD3' ' A' ' 75' ' ' LYS . 23.2 m -63.08 90.65 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.508 0.671 . . . . 0.0 111.268 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -54.1 -25.01 19.73 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.063 -179.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.495 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 11.8 mptt -58.43 -54.59 45.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.012 -171.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -62.2 -40.88 97.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.781 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.2 m -65.24 -42.44 93.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.843 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.06 -45.35 85.71 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.131 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -57.67 -53.8 54.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.009 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.872 HG21 HG11 ' A' ' 68' ' ' VAL . 10.9 tp -62.62 -36.63 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.666 -176.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -63.79 -38.87 92.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.697 0.284 . . . . 0.0 110.369 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.3 m -62.79 -41.96 99.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.039 0.447 . . . . 0.0 109.883 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.527 HD12 HD12 ' A' ' 80' ' ' ILE . 75.0 mt -61.98 -43.76 98.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 178.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.513 ' NE1' ' NE2' ' A' ' 125' ' ' GLN . 13.6 m0 -60.88 -60.09 4.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.983 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -58.4 -27.78 64.6 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.938 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.41 63.74 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.765 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.473 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 20.4 m -81.81 -19.2 41.66 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.79 -48.52 10.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.139 0.495 . . . . 0.0 110.462 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -71.51 -26.43 62.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.863 -174.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 35.7 p30 -71.51 -21.08 61.96 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.263 0.554 . . . . 0.0 110.082 176.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.01 6.93 47.73 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.947 174.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.0 m120 63.02 25.09 14.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.119 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -76.58 92.06 3.44 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.0 95.05 5.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.847 -174.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.468 ' HA ' ' HG3' ' A' ' 110' ' ' ARG . 27.4 m -133.74 162.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.708 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.732 HE21 ' HA ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -108.03 153.15 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.502 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -145.21 143.58 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.542 -174.102 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -141.51 148.73 39.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.6 tt -109.86 90.5 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.559 0.695 . . . . 0.0 109.566 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.0 m -118.38 110.46 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.439 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.32 101.03 1.67 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -169.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.5 m -53.45 -21.58 6.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -171.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.81 -26.12 61.39 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.939 0.4 . . . . 0.0 111.535 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 104' ' ' ARG . 11.2 ptp180 -139.23 175.6 9.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.44 0.638 . . . . 0.0 112.233 -168.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -135.14 142.83 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.785 172.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 tt -111.09 133.01 58.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -115.44 118.67 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.379 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.481 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.1 mtt -94.7 97.45 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.5 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 109' ' ' LEU . 6.8 mp -71.67 129.37 38.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.653 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 88.3 mtt-85 -82.85 -6.64 59.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.203 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -149.74 177.24 9.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.372 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.47 22.16 4.43 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.018 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.7 m -81.12 -55.68 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.155 -175.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -100.51 21.58 13.05 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.312 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.36 -41.95 66.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.921 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -69.73 -31.07 68.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.136 0.493 . . . . 0.0 110.227 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.61 -46.18 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.097 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.3 tt -65.23 -35.23 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.971 177.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -59.55 -50.31 74.4 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 174.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 123' ' ' VAL . 36.3 t70 -60.02 -36.64 77.67 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.375 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -61.02 -43.08 99.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.527 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.574 HD13 HG21 ' A' ' 66' ' ' VAL . 93.9 mt -62.57 -51.17 68.42 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' A' ' 120' ' ' ASP . 17.0 m -74.35 -17.16 16.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.619 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.84 -31.12 70.56 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.021 0.438 . . . . 0.0 110.003 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.513 ' NE2' ' NE1' ' A' ' 84' ' ' TRP . 24.9 mt-30 -86.98 135.03 33.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.031 177.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.67 -18.63 65.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.242 -171.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.0 mtt-85 -76.9 -4.33 43.28 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.4 t -77.96 100.96 6.64 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.72 -45.68 14.13 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.213 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.736 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 33.8 tt0 -151.2 119.32 6.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 -175.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.503 HG23 HG22 ' A' ' 66' ' ' VAL . 7.3 p -111.19 125.7 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.787 0.327 . . . . 0.0 110.264 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 16.8 p -140.8 157.27 45.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.898 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.501 HD23 ' HG2' ' A' ' 64' ' ' MET . 53.5 mt -93.54 172.04 8.52 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -64.55 87.48 0.05 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 166.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 99.92 -162.52 19.32 Favored Glycine 0 C--N 1.331 0.302 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -173.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -84.76 179.65 7.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.127 0.463 . . . . 0.0 110.349 177.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.551 ' SD ' ' HD2' ' A' ' 139' ' ' PRO . 14.5 tpt -59.89 91.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.451 ' N ' ' CD ' ' A' ' 139' ' ' PRO . 6.1 p90 -74.07 -32.84 1.57 Allowed Pre-proline 0 CA--C 1.544 0.714 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.551 ' HD2' ' SD ' ' A' ' 137' ' ' MET . 6.2 Cg_exo -80.3 174.27 11.53 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.941 1.761 . . . . 0.0 111.517 174.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 134.9 -116.7 1.62 Allowed Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.07 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.527 ' HB3' ' NZ ' ' A' ' 141' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 N-CA-C 112.089 -0.405 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.2 t70 67.93 -74.42 0.07 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.137 0.575 . . . . 0.0 111.337 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.9 pt -121.81 -17.07 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.95 0.405 . . . . 0.0 110.555 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 mtm105 -61.84 -31.02 71.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.435 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -51.7 -51.44 56.0 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 123.131 0.269 . . . . 0.0 111.099 -174.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 4.8 p90 -73.7 -37.28 65.22 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.628 ' O ' ' HB3' ' A' ' 11' ' ' MET . 28.6 m-80 -56.01 -73.17 0.06 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -47.17 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.621 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -65.26 -65.57 0.66 Allowed 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.857 0.361 . . . . 0.0 111.897 -173.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 33.4 t70 -69.91 -37.94 76.11 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.63 -168.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.628 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 47.6 ttm -74.82 -37.01 62.43 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.937 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.36 82.57 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.136 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 62.2 mtm180 -63.13 -50.08 71.88 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.186 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 tp -54.99 -51.86 64.89 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.684 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.14 -28.93 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.38 -42.64 96.05 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 16.5 mm100 -63.37 -51.21 66.85 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.03 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -60.06 -41.67 92.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.81 -43.74 95.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.917 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.658 ' O ' HG12 ' A' ' 24' ' ' ILE . 24.9 ttpp -54.54 -55.12 32.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.82 -46.05 83.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -57.88 -30.64 66.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.746 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.3 -38.19 24.69 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.593 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 20' ' ' LYS . 37.2 pt -89.3 -7.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.636 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -102.43 -41.42 6.31 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.461 0.172 . . . . 0.0 110.699 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 38.4 tt0 -136.69 167.23 21.82 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.688 0.28 . . . . 0.0 110.267 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.434 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 89.91 8.5 67.09 Favored Glycine 0 C--N 1.332 0.34 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -100.68 163.81 12.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.65 0.38 . . . . 0.0 110.18 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 29' ' ' LEU . 2.3 mm? -92.45 132.59 31.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -63.15 155.96 58.15 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.427 2.085 . . . . 0.0 112.446 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -63.39 -18.46 63.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.643 0.735 . . . . 0.0 109.992 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -81.38 105.35 12.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.556 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.603 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -83.67 106.29 15.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.139 178.427 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -79.89 111.72 23.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.488 176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 61.9 Cg_endo -87.99 1.78 6.63 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.202 2.601 . . . . 0.0 111.929 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -69.17 113.65 6.72 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.876 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' A' ' 38' ' ' PRO . . . -72.11 -34.78 3.04 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.563 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 37' ' ' ALA . 17.1 Cg_exo -70.03 51.87 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.466 2.111 . . . . 0.0 113.035 175.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.6 -25.64 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.05 0.452 . . . . 0.0 110.76 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.21 -40.46 64.48 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.675 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -67.45 -29.18 68.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.467 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -76.98 -33.74 57.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.777 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -78.49 -48.23 15.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.96 -39.97 33.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.413 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.7 t70 56.47 78.8 0.36 Allowed Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.069 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.42 151.33 80.32 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.574 2.183 . . . . 0.0 111.662 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.34 -32.48 3.08 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 143.63 83.85 Favored Pre-proline 0 C--N 1.331 -0.225 0 N-CA-C 109.533 -0.544 . . . . 0.0 109.533 173.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -79.97 125.12 5.82 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.207 1.938 . . . . 0.0 112.587 -177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -74.65 5.54 4.76 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.582 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.6 p -55.31 -30.89 61.07 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.379 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.564 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.6 pp -64.21 -40.62 89.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.558 175.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 52' ' ' ILE . 91.3 mt -66.07 -32.76 74.41 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.156 0.503 . . . . 0.0 109.916 176.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -68.21 -44.85 74.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.894 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.435 ' HG3' ' HA ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -86.99 -20.38 27.33 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -171.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 52' ' ' ILE . 9.8 p -68.13 149.75 49.21 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.306 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -98.16 125.26 43.11 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -103.72 142.06 35.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.661 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.93 53.47 1.63 Allowed Glycine 0 CA--C 1.507 -0.458 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' HD3' HD23 ' A' ' 62' ' ' LEU . 64.0 mttm -80.44 160.9 25.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.681 0.753 . . . . 0.0 111.909 -174.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.408 ' O ' ' SD ' ' A' ' 63' ' ' MET . 7.3 m -121.91 26.29 8.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.183 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.544 HD23 ' HD3' ' A' ' 60' ' ' LYS . 4.5 pp -79.55 142.74 35.45 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.429 -178.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.45 ' HG2' HD11 ' A' ' 106' ' ' ILE . 2.4 mpp? -122.58 151.66 41.2 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.123 0.487 . . . . 0.0 111.325 -176.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.582 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 59.2 mtt -114.6 121.52 43.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.92 171.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.457 ' HE1' ' HB2' ' A' ' 134' ' ' GLU . 78.5 m-85 -91.1 128.35 36.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.109 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.469 HG13 HG22 ' A' ' 131' ' ' VAL . 51.7 t -127.34 101.8 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.783 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 26.1 m -74.49 113.87 12.23 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.784 HG11 HG21 ' A' ' 80' ' ' ILE . 62.6 t -101.1 -61.16 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.124 -173.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.458 ' OG ' ' HB2' ' A' ' 76' ' ' GLU . 18.1 m -78.51 -45.29 22.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.943 -175.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' N ' ' HB2' ' A' ' 103' ' ' ASP . . . 76.47 -10.06 18.67 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.896 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.595 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.0 p-10 -125.65 162.23 46.1 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.595 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 18.3 Cg_endo -57.3 -18.73 31.78 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.168 2.579 . . . . 0.0 114.89 -169.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 m -62.14 99.88 0.15 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.65 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.517 ' HB2' ' OG ' ' A' ' 102' ' ' SER . 43.4 tt0 -67.67 -21.19 65.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.248 0.547 . . . . 0.0 110.479 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.623 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -62.75 -44.22 96.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.797 -173.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.458 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.4 mm-40 -60.44 -51.43 69.53 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.85 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 m -59.5 -39.84 85.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.732 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.68 -46.53 87.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.626 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 58.0 mm-40 -60.2 -52.3 65.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.293 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.784 HG21 HG11 ' A' ' 68' ' ' VAL . 11.1 tp -63.09 -36.58 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.743 -176.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.8 m -66.49 -43.26 85.83 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.474 ' HA ' HE21 ' A' ' 85' ' ' GLN . 5.5 p -64.67 -42.86 95.07 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 120.836 0.351 . . . . 0.0 110.504 178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.9 mt -57.22 -44.2 83.51 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.286 176.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.404 ' O ' HD13 ' A' ' 88' ' ' LEU . 24.5 m0 -66.64 -52.14 48.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.698 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.474 HE21 ' HA ' ' A' ' 82' ' ' SER . 28.4 pt20 -59.75 -26.59 65.8 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.336 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.25 -61.68 3.59 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.018 172.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.3 m -57.35 -48.67 78.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.648 0.379 . . . . 0.0 111.911 -175.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 84' ' ' TRP . 11.0 mp -59.85 -43.67 94.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.217 -177.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -72.25 -20.95 61.46 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.442 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -26.93 67.18 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 170.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.48 10.01 36.22 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.557 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.3 t30 65.88 24.36 11.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.521 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -75.01 92.74 2.63 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 122.11 -0.369 . . . . 0.0 110.077 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.84 88.71 2.3 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.099 0.476 . . . . 0.0 109.936 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.9 t -129.94 150.94 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -100.39 139.79 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.615 ' HD3' ' N ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -130.22 121.76 26.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.257 -173.139 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -125.36 159.59 31.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 99' ' ' ILE . 14.8 tt -119.71 89.35 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.796 0.808 . . . . 0.0 110.951 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.6 m -108.0 114.52 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.935 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.1 102.73 2.48 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -169.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' ' 74' ' ' GLU . 7.5 t -49.73 -22.6 1.44 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.41 ' HB2' ' N ' ' A' ' 70' ' ' GLY . 14.8 p-10 -101.26 0.88 38.17 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -146.93 162.68 38.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.119 0.485 . . . . 0.0 111.834 -171.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.3 160.4 29.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.634 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.45 HD11 ' HG2' ' A' ' 63' ' ' MET . 10.5 tt -132.79 121.05 43.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.001 0.429 . . . . 0.0 110.729 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -106.52 113.72 27.4 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.655 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 52.5 ttp -96.13 115.67 27.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 118' ' ' ILE . 6.3 mp -92.01 139.42 30.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.295 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -78.08 -37.52 46.38 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.1 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -137.74 146.6 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.211 175.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.89 31.97 6.48 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.606 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.1 p -63.63 -55.21 25.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 110.949 -178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -102.3 28.36 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.57 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.02 75.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.613 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -73.31 -33.97 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.62 -53.04 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.518 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 109' ' ' LEU . 11.3 tt -61.52 -38.23 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.86 -45.85 91.16 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.304 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.411 ' HA ' HG22 ' A' ' 123' ' ' VAL . 25.6 t70 -61.77 -40.75 96.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.33 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.77 -47.79 83.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.238 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 95.8 mt -61.62 -42.88 99.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.397 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 120' ' ' ASP . 25.1 m -76.21 -24.71 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.463 -177.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 t -70.54 -26.27 63.48 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.778 0.323 . . . . 0.0 110.397 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.56 ' HB2' ' SG ' ' A' ' 128' ' ' CYS . 14.1 mm100 -59.93 130.31 46.13 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.244 0.545 . . . . 0.0 111.084 178.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.0 -26.78 62.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.972 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -85.29 -3.48 58.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.364 -174.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 125' ' ' GLN . 77.9 m -85.59 118.66 25.24 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.01 -51.59 6.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.579 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 40.4 mt-10 -130.74 131.04 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.21 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.469 HG22 HG13 ' A' ' 66' ' ' VAL . 61.3 t -131.82 115.75 28.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 175.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.3 m -149.11 129.44 13.77 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.74 0.305 . . . . 0.0 110.891 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.582 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.3 pp -86.64 151.1 23.72 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.466 176.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.457 ' HB2' ' HE1' ' A' ' 65' ' ' PHE . 41.8 tt0 -73.92 97.24 2.76 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.677 0.275 . . . . 0.0 110.663 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.568 ' HA3' ' HE1' ' A' ' 138' ' ' TYR . . . 142.72 153.92 6.01 Favored Glycine 0 N--CA 1.453 -0.18 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.921 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.34 65.77 8.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.883 0.341 . . . . 0.0 110.712 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 92.6 mmm 51.14 90.52 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.83 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.568 ' HE1' ' HA3' ' A' ' 135' ' ' GLY . 28.3 p90 -129.53 110.26 17.6 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.721 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -76.84 -23.2 11.07 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.078 2.519 . . . . 0.0 112.373 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.91 130.45 45.12 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.891 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.9 -0.571 . . . . 0.0 110.387 -178.232 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -151.86 -89.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -129.39 -29.85 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -53.63 -29.38 37.86 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.214 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.26 -49.92 72.83 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.372 0.606 . . . . 0.0 109.737 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -67.84 -42.35 81.53 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.251 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' A' ' 11' ' ' MET . 14.1 m120 -56.27 -59.21 5.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 15.5 t70 -52.44 -63.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.908 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.608 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -52.59 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.002 0.43 . . . . 0.0 110.987 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.42 -60.71 3.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.401 -173.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.534 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.8 ttm -69.18 -43.1 74.89 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -170.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.63 -41.67 68.55 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.504 -177.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.0 mmt180 -75.22 -11.52 60.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.0 mt -76.18 -53.12 8.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.432 166.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.1 pt? -138.26 66.54 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.602 0.715 . . . . 0.0 111.276 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 12' ' ' ALA . 31.0 tt0 -58.13 -10.27 1.83 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.719 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -39.42 -47.59 1.82 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.323 0.649 . . . . 0.0 111.973 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -69.94 -40.22 75.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.498 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.77 -49.63 75.61 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' O ' HG13 ' A' ' 24' ' ' ILE . 88.5 tttt -60.97 -49.2 78.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.808 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.2 -54.06 50.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.009 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.68 -31.88 72.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.516 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.31 -42.51 83.59 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.517 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 20' ' ' LYS . 80.2 mt -65.48 -48.0 84.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -59.57 -37.2 77.83 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.136 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 68.76 6.24 5.42 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.117 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.84 90.23 0.01 OUTLIER Glycine 0 CA--C 1.521 0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 113.583 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -78.25 92.71 4.52 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 66.8 mt -66.77 151.43 96.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.91 -175.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 9.3 Cg_exo -73.28 33.16 0.32 Allowed 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.034 2.489 . . . . 0.0 111.915 174.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 29' ' ' LEU . 44.9 tt0 -76.72 -8.84 58.05 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.746 -177.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -68.58 112.95 5.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.507 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 1.7 tpmt? -68.91 118.62 12.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -172.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 5.8 ppt_? -70.49 144.95 92.26 Favored Pre-proline 0 C--O 1.235 0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.473 178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 34' ' ' ARG . 4.5 Cg_exo -81.4 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.489 2.126 . . . . 0.0 111.734 175.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -87.43 133.25 33.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -79.31 -49.05 1.47 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.215 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.8 Cg_exo -76.13 86.6 1.51 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.319 2.013 . . . . 0.0 112.065 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 32.4 pt -99.33 3.66 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.333 0.587 . . . . 0.0 109.938 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.39 -54.01 30.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.481 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -59.53 -40.97 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 -176.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.4 t -69.11 -33.35 73.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -76.7 -40.83 47.52 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.995 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.91 -27.71 39.88 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t70 54.29 91.57 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.397 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.799 173.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -86.83 -173.72 1.22 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.764 2.309 . . . . 0.0 111.604 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.84 -30.86 8.26 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.952 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -83.6 149.63 57.83 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.99 -5.13 4.37 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.102 2.535 . . . . 0.0 113.365 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -0.02 37.2 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.549 0.214 . . . . 0.0 111.409 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.453 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 70.3 m -53.13 -28.79 27.53 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.338 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 53' ' ' LEU . 27.0 pt -63.45 -47.12 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.575 174.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.436 ' N ' HG13 ' A' ' 52' ' ' ILE . 3.5 tm? -63.76 -35.76 81.65 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 51' ' ' SER . 14.8 ttmm -65.45 -44.74 86.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.963 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -84.65 -20.43 31.33 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.792 -174.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.8 m -66.74 105.1 1.47 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.957 0.408 . . . . 0.0 110.488 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 8.5 mtmp? -121.94 155.8 34.72 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.083 -176.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 59' ' ' GLY . 3.8 tmmm? -78.38 140.17 38.74 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 58' ' ' LYS . . . 120.65 72.59 0.33 Allowed Glycine 0 N--CA 1.453 -0.205 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HD2' ' HB3' ' A' ' 108' ' ' MET . 65.0 mttm -77.95 146.87 35.24 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -174.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.9 p -83.52 -30.41 27.14 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -168.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -142.18 128.27 19.68 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.449 ' N ' ' SD ' ' A' ' 63' ' ' MET . 2.5 mpp? -126.81 113.0 16.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.417 ' HB3' ' HG ' ' A' ' 133' ' ' LEU . 18.2 ptp -107.76 125.06 50.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 0.0 111.121 -176.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -89.69 117.04 28.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.985 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG21 HD13 ' A' ' 122' ' ' LEU . 21.9 t -98.26 111.52 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.519 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.0 m -78.25 100.21 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.694 HG11 HG21 ' A' ' 80' ' ' ILE . 21.5 t -102.15 -61.38 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -171.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.557 ' HB2' ' OD1' ' A' ' 71' ' ' ASN . 81.1 p -83.29 -66.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.782 -167.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.54 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 90.04 10.11 64.88 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -174.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.557 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 2.9 p-10 -126.61 145.21 52.39 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -67.1 -28.44 41.03 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.111 2.541 . . . . 0.0 112.88 -174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 10.5 p -63.43 117.5 6.78 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.1 0.476 . . . . 0.0 110.835 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 74' ' ' GLU . 2.5 mp0 -64.62 -33.27 75.55 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.826 -173.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.1 ptmm? -37.8 -48.41 1.1 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.823 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -63.57 -56.66 14.21 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.93 0.395 . . . . 0.0 111.082 -176.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.493 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.0 t -65.31 -30.87 71.77 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.386 -177.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.97 -52.24 66.25 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 25.3 mm-40 -59.98 -58.63 7.72 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.992 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.694 HG21 HG11 ' A' ' 68' ' ' VAL . 8.9 tp -60.06 -43.87 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.49 -173.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.6 m -67.63 -30.9 70.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.525 0.203 . . . . 0.0 110.509 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 38.1 t -64.73 -44.44 90.16 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 79' ' ' GLU . 4.5 mm? -60.61 -48.65 80.85 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.465 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 25.8 m0 -60.32 -41.54 93.74 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.486 177.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -51.96 62.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.912 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.65 76.28 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.05 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.6 t -59.11 -47.19 86.17 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.721 0.296 . . . . 0.0 111.2 -176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 85.1 mt -66.81 -40.23 87.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.809 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.49 -25.8 64.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.567 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.23 -35.88 68.98 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 174.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.65 -3.69 42.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.593 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 67.1 27.03 8.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.366 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -70.3 128.14 35.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.321 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.5 73.68 4.07 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.604 0.716 . . . . 0.0 109.281 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.6 HG12 ' HG ' ' A' ' 109' ' ' LEU . 35.4 m -125.84 157.69 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.757 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.551 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 25.2 mm-40 -125.26 145.58 49.93 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 177.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.779 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -121.69 129.27 52.63 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -175.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.534 ' HB2' HG23 ' A' ' 106' ' ' ILE . 97.2 m-85 -137.76 146.62 43.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.034 0.445 . . . . 0.0 110.239 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -110.84 124.59 67.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.438 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 100' ' ' VAL . 3.7 p -151.26 101.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.62 101.22 0.22 Allowed Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -170.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.472 ' HA ' HG21 ' A' ' 77' ' ' THR . 45.1 t -47.64 -31.54 4.68 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -170.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.54 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 3.5 m-20 -52.08 -37.17 53.01 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.934 0.397 . . . . 0.0 111.453 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -139.34 138.67 36.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.585 -173.706 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.07 140.8 39.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.534 HG23 ' HB2' ' A' ' 98' ' ' PHE . 6.8 tt -100.6 125.5 54.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.098 0.475 . . . . 0.0 110.876 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -107.85 113.32 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.578 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.551 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 62.2 mtt -93.45 135.45 34.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.336 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.6 ' HG ' HG12 ' A' ' 95' ' ' VAL . 6.0 mp -127.16 122.53 34.39 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -76.85 -30.35 56.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.364 0.602 . . . . 0.0 109.541 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.64 138.08 54.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.23 -0.896 . . . . 0.0 108.892 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.16 21.8 8.68 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.808 -172.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.0 p -66.73 -36.69 83.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.631 0.716 . . . . 0.0 110.019 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -98.26 19.45 14.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.927 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.1 -36.91 66.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 111.349 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -77.51 -30.76 53.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.581 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.74 -46.93 62.11 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.029 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.582 HG21 HD21 ' A' ' 109' ' ' LEU . 11.7 tt -67.81 -41.53 85.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.326 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.75 -43.15 94.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.993 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.538 ' HA ' HG22 ' A' ' 123' ' ' VAL . 31.4 t70 -58.94 -47.32 85.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.025 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -54.22 -42.89 70.34 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.66 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.489 HD13 HG21 ' A' ' 66' ' ' VAL . 89.4 mt -69.23 -43.27 74.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.284 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 120' ' ' ASP . 24.5 m -79.44 -8.79 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.743 0.306 . . . . 0.0 110.908 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 m -74.82 -4.72 39.43 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.41 172.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.52 ' HG3' ' H ' ' A' ' 128' ' ' CYS . 6.4 tp-100 -59.73 117.64 5.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 110.077 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.68 -22.14 47.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.311 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -76.24 -47.66 23.11 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.935 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.52 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 16.5 p 166.68 138.39 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.427 0.691 . . . . 0.0 109.685 -177.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -173.15 156.94 3.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.969 0.414 . . . . 0.0 111.475 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -160.37 132.43 6.12 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 172.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.45 HG22 HG22 ' A' ' 66' ' ' VAL . 50.0 t -118.69 106.9 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 111.4 -173.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.7 m -99.64 126.24 45.61 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.854 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.417 ' HG ' ' HB3' ' A' ' 64' ' ' MET . 6.8 mp -96.8 129.56 44.21 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.021 0.438 . . . . 0.0 112.057 -174.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.2 143.09 49.79 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 170.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.16 -167.82 30.12 Favored Glycine 0 N--CA 1.454 -0.107 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.95 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -74.48 -22.78 58.91 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.013 0.435 . . . . 0.0 110.568 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 55.2 ttp -110.73 101.92 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.506 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -138.83 92.0 11.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.458 177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -68.53 -25.34 35.1 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.991 2.46 . . . . 0.0 111.927 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 82.62 -72.52 2.81 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.937 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.463 ' HB3' ' NZ ' ' A' ' 141' ' ' LYS . 6.1 ttpm? . . . . . 0 C--O 1.247 0.927 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.15 135.41 35.78 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.656 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.1 pt -122.34 5.09 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.123 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.478 ' NH1' ' HB2' ' A' ' 8' ' ' ASP . 2.3 tmt_? -64.62 -37.22 86.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.586 -176.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.02 -49.24 78.23 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.519 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -60.16 -47.12 87.27 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.986 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.538 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.2 m-20 -55.34 -50.23 70.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.826 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.478 ' HB2' ' NH1' ' A' ' 4' ' ' ARG . 21.6 t70 -50.22 -72.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.622 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -55.17 38.5 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.743 -173.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.26 -55.19 9.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.619 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.538 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 15.1 mmt -62.8 -37.38 86.5 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.386 -175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 16' ' ' GLU . . . -60.88 -64.37 0.98 Allowed 'General case' 0 CA--C 1.526 0.039 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.174 176.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 26.1 mmt180 -66.21 -14.35 61.77 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -173.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' HB3' HD23 ' A' ' 15' ' ' LEU . 56.4 tp -85.35 -53.18 5.38 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.123 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -127.62 38.1 4.1 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.091 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 12' ' ' ALA . 11.8 pt-20 -58.98 -4.43 0.47 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 173.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -46.79 -54.47 9.76 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.945 0.498 . . . . 0.0 111.205 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -69.86 -32.67 71.17 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.94 -60.97 2.71 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.607 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' O ' HG13 ' A' ' 24' ' ' ILE . 14.8 ptmm? -63.26 -38.59 91.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.645 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.32 -51.87 65.93 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.007 0.432 . . . . 0.0 110.285 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -34.44 77.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.827 178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -23.37 61.85 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.667 0.27 . . . . 0.0 111.259 178.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 20' ' ' LYS . 83.1 mt -82.82 -35.52 12.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.031 0.443 . . . . 0.0 110.36 174.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.86 -39.46 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.987 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.72 177.52 10.0 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.16 87.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.419 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.57 89.82 5.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.925 0.393 . . . . 0.0 110.662 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -110.62 99.46 41.51 Favored Pre-proline 0 C--O 1.235 0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.93 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -89.55 148.25 5.13 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.894 2.396 . . . . 0.0 112.036 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -88.94 -19.41 25.79 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.221 0.534 . . . . 0.0 109.809 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -91.14 114.6 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.66 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 87.1 tttt -86.1 168.27 14.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.249 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.541 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -50.35 112.07 2.57 Favored Pre-proline 0 N--CA 1.466 0.329 0 C-N-CA 122.715 0.406 . . . . 0.0 110.504 175.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.8 -41.31 1.53 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.177 1.918 . . . . 0.0 112.164 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.6 p -115.48 138.72 50.74 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.971 -176.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -83.2 -50.84 0.68 Allowed Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 173.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 2.7 Cg_exo -76.44 108.37 2.65 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.222 1.948 . . . . 0.0 111.671 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.6 pt -66.72 -21.41 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' HD13 ' A' ' 44' ' ' LEU . 31.9 t70 -50.89 -59.87 3.67 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.774 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 90.3 m-85 -62.38 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.502 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 t -61.4 -43.5 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -74.82 -31.29 61.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.646 -177.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 40' ' ' ASP . 10.1 mp -71.56 -22.71 61.71 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 172.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 64.51 91.62 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.833 176.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 38.4 Cg_endo -65.9 -47.54 3.64 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.695 2.263 . . . . 0.0 112.519 -175.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 -63.14 3.34 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.973 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 3.5 mppt? -67.64 119.17 64.02 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 122.328 0.251 . . . . 0.0 110.788 -177.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.35 -20.06 69.48 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.027 2.485 . . . . 0.0 112.344 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.03 13.62 1.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.553 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 32.7 t -52.85 -38.75 61.88 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.18 0.514 . . . . 0.0 110.187 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.676 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.3 pp -60.63 -40.8 85.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 175.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 52' ' ' ILE . 42.8 tp -75.0 -23.47 58.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.235 0.54 . . . . 0.0 109.922 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 51' ' ' SER . 24.0 tptm -66.65 -48.34 69.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.959 175.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -84.66 -21.23 30.31 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.015 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 95.1 m -87.58 109.35 19.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.95 0.405 . . . . 0.0 110.747 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -94.9 137.1 34.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.018 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -94.8 160.99 14.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.54 57.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -79.03 146.02 33.55 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.067 0.46 . . . . 0.0 110.764 -179.074 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.9 t -101.05 -16.69 17.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.686 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 63' ' ' MET . 1.3 tm? -148.98 141.6 24.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.592 ' N ' HD13 ' A' ' 62' ' ' LEU . 21.7 ptm -146.44 142.33 28.03 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.404 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 52.1 mtt -123.5 123.94 41.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.23 -172.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -90.9 96.51 10.67 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 170.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.525 HG21 HD13 ' A' ' 122' ' ' LEU . 16.4 t -90.67 104.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.603 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 m -76.28 97.19 4.12 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.781 HG11 HG21 ' A' ' 80' ' ' ILE . 24.1 t -101.64 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.186 -173.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.423 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 25.4 t -63.81 -67.01 0.46 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.825 -173.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.477 ' H ' ' HA ' ' A' ' 103' ' ' ASP . . . 75.08 -1.36 55.93 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.833 -175.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.4 HD21 ' HG3' ' A' ' 76' ' ' GLU . 1.7 p-10 -126.14 151.81 72.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 122.775 0.43 . . . . 0.0 109.861 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.74 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.275 2.65 . . . . 0.0 113.64 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.4 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 5.9 p -59.3 97.07 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.356 0.598 . . . . 0.0 111.103 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.4 -27.22 14.92 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.308 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.554 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 3.8 mptp? -45.57 -41.17 9.63 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.563 0.54 . . . . 0.0 111.304 -175.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' HG3' HD21 ' A' ' 71' ' ' ASN . 8.1 mm-40 -58.53 -60.11 4.31 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.215 -177.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.426 ' HA ' HG22 ' A' ' 80' ' ' ILE . 13.6 t -68.16 -36.09 79.08 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -176.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.52 -58.19 9.67 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.402 0.62 . . . . 0.0 110.326 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' O ' HD13 ' A' ' 83' ' ' LEU . 44.6 mt-10 -62.4 -45.38 93.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.109 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.781 HG21 HG11 ' A' ' 68' ' ' VAL . 9.7 tp -62.24 -38.69 81.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.664 -177.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.3 m -65.51 -35.26 80.34 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.2 m -63.17 -41.78 99.29 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 79' ' ' GLU . 9.6 mp -63.11 -47.59 82.15 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.468 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 22.9 m0 -61.39 -41.19 96.73 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.89 -51.83 59.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.063 177.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.54 -52.27 52.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.025 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 m -58.64 -48.39 81.18 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 88.0 mt -64.67 -39.06 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.84 -9.96 59.03 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.512 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.13 -37.5 64.05 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 172.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.9 2.24 56.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.597 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.1 t30 57.99 62.65 1.99 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.737 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -93.45 99.42 11.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.681 ' HB2' ' HE ' ' A' ' 110' ' ' ARG . 4.8 m-20 -65.27 82.49 0.05 Allowed 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 m -125.32 157.76 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.656 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.748 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 45.8 mt-30 -102.01 151.63 21.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 173.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.474 ' HD3' ' N ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.98 122.42 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.02 -177.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -137.72 158.97 43.25 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.319 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.1 tt -111.48 108.97 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.586 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.73 116.56 27.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.54 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.404 ' HA3' HH11 ' A' ' 104' ' ' ARG . . . 77.02 102.6 0.16 Allowed Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -173.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 m -43.8 -26.51 0.26 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.477 ' HA ' ' H ' ' A' ' 70' ' ' GLY . 8.5 m-20 -66.04 -41.97 90.17 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.572 ' H ' ' HD2' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -128.06 160.84 30.73 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.505 0.669 . . . . 0.0 112.205 -170.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.15 148.46 44.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.836 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.823 HG13 ' SD ' ' A' ' 108' ' ' MET . 6.5 tp -111.38 122.96 66.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 121.11 0.481 . . . . 0.0 111.246 -175.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.1 134.67 53.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.168 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.823 ' SD ' HG13 ' A' ' 106' ' ' ILE . 3.3 mpp? -116.24 123.19 47.11 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.526 0.33 . . . . 0.0 110.532 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.1 mt -102.68 122.27 44.1 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.363 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.681 ' HE ' ' HB2' ' A' ' 94' ' ' ASP . 13.3 ptt180 -80.03 -22.98 41.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -124.38 142.87 50.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.754 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.95 5.32 32.25 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.938 -0.649 . . . . 0.0 113.404 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 m -67.47 -20.17 65.44 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.236 0.518 . . . . 0.0 110.964 -177.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.426 ' O ' HG22 ' A' ' 118' ' ' ILE . 45.8 p90 -124.13 27.87 6.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.589 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.82 -60.53 3.56 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.378 -177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.503 ' HE3' ' HA ' ' A' ' 116' ' ' TRP . 1.4 m95 -70.53 -26.27 63.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.383 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -61.38 -57.37 12.54 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.627 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.497 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -64.75 -33.43 63.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.156 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -54.03 -52.11 61.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.48 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.661 ' HA ' HG22 ' A' ' 123' ' ' VAL . 7.2 m-20 -66.85 -38.4 86.3 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.579 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -55.13 -40.04 70.12 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.395 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.525 HD13 HG21 ' A' ' 66' ' ' VAL . 92.5 mt -72.89 -52.25 15.45 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.265 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 120' ' ' ASP . 20.9 m -68.46 -16.41 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 CA-C-O 120.744 0.307 . . . . 0.0 111.734 -175.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 t -74.89 -0.58 18.99 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 110.909 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.609 ' NE2' HD11 ' A' ' 80' ' ' ILE . 6.4 tp-100 -63.36 156.66 25.18 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.054 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -55.1 -47.55 74.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.552 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 68' ' ' VAL . 30.2 ttm180 -82.77 2.35 34.39 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.684 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m 69.6 -67.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.598 0.759 . . . . 0.0 111.278 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 71.67 119.75 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.564 0.54 . . . . 0.0 111.575 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -79.64 113.13 17.55 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.984 0.421 . . . . 0.0 110.34 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 66' ' ' VAL . 7.7 p -92.01 119.37 39.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.316 0.579 . . . . 0.0 110.97 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.2 m -107.11 108.99 20.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.4 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.511 HD23 HD11 ' A' ' 62' ' ' LEU . 3.9 mp -95.44 155.68 16.64 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.904 0.383 . . . . 0.0 111.31 -173.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -88.79 149.93 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.267 170.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 91.67 60.56 1.27 Allowed Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -174.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -64.46 82.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.439 0.638 . . . . 0.0 110.88 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -127.67 -0.56 6.12 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.152 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.528 ' N ' ' HD2' ' A' ' 139' ' ' PRO . 63.7 t80 179.21 -51.56 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.603 -173.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 138' ' ' TYR . 47.7 Cg_endo -68.18 4.34 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 122.466 2.111 . . . . 0.0 113.301 -177.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -145.13 177.99 23.2 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.118 -177.02 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.197 -0.361 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.03 84.85 0.71 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 pt -132.72 -30.79 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.264 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -66.54 -32.29 73.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.693 -177.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.41 -43.29 94.84 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.189 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -59.97 -48.64 80.87 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.388 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.557 ' O ' ' HB2' ' A' ' 11' ' ' MET . 32.3 m-80 -58.32 -52.6 64.93 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.904 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.13 -69.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -58.42 6.46 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.06 -173.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.35 -44.44 75.25 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.866 -170.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 22.9 mmt -70.78 -37.71 73.37 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.188 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.04 -57.5 12.29 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -50.63 -48.13 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.004 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -56.26 -45.97 79.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 11' ' ' MET . 4.6 mm? -78.41 -19.39 53.36 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.83 -177.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 48.8 mt-10 -81.1 -40.64 23.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.431 0.158 . . . . 0.0 110.716 177.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.557 HE21 ' HA ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -52.55 -73.64 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.849 -176.243 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 p-90 -51.71 -36.68 47.73 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.676 0.274 . . . . 0.0 111.139 -174.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.66 -65.48 0.67 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.05 0.452 . . . . 0.0 110.916 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 22.7 pttp -71.23 -39.81 71.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.055 -174.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.4 -35.83 78.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.527 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.49 -34.12 58.65 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -61.21 -41.26 96.53 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.539 174.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.0 mt -75.93 -42.18 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.173 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -72.36 -63.11 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.947 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -86.61 -60.85 1.87 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.472 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.22 30.65 77.18 Favored Glycine 0 N--CA 1.454 -0.14 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.082 -177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -139.2 100.59 4.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.3 mt -113.39 141.03 25.15 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.816 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.85 99.73 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.542 2.161 . . . . 0.0 111.856 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.38 -20.66 62.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.194 0.521 . . . . 0.0 110.019 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -117.02 104.86 11.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.733 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -90.38 153.35 20.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -59.14 130.58 86.92 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.677 175.268 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -57.07 -49.43 14.25 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.875 2.384 . . . . 0.0 112.434 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.526 ' O ' ' HD3' ' A' ' 34' ' ' ARG . 39.8 t -69.71 108.93 4.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.372 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -103.39 -48.54 0.16 Allowed Pre-proline 0 CA--C 1.542 0.668 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 91.7 Cg_endo -78.69 48.84 2.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 122.388 2.059 . . . . 0.0 113.383 -173.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.44 HD11 ' NH1' ' A' ' 34' ' ' ARG . 59.8 mt -53.84 -55.66 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -55.35 -45.54 76.46 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.474 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 38' ' ' PRO . 89.8 m-85 -59.7 -36.94 77.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.475 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -68.73 -30.61 69.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.499 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -68.37 -39.43 81.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.18 -33.67 73.74 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 66.91 90.65 0.08 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.17 175.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -74.18 168.22 25.32 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.445 2.096 . . . . 0.0 111.205 172.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.25 -39.42 2.83 Favored Glycine 0 C--O 1.234 0.156 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -91.25 108.46 28.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -78.14 -72.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.528 2.152 . . . . 0.0 111.995 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 53' ' ' LEU . 32.5 tt0 55.22 27.85 10.3 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.007 0.908 . . . . 0.0 109.068 -175.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 p -52.95 -39.22 62.75 Favored 'General case' 0 N--CA 1.458 -0.05 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.72 -173.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 53' ' ' LEU . 23.4 pt -56.27 -55.73 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.218 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' N ' HG13 ' A' ' 52' ' ' ILE . 61.9 tp -69.77 -28.01 65.4 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.123 0.487 . . . . 0.0 110.463 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -73.94 -42.37 60.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.864 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -82.09 -22.78 36.09 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.954 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.5 p -82.41 130.69 35.16 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.024 0.44 . . . . 0.0 110.662 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.78 127.05 35.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.875 177.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -80.83 147.67 30.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.222 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.11 63.43 0.26 Allowed Glycine 0 N--CA 1.452 -0.259 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -79.23 118.03 20.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.323 . . . . 0.0 110.605 -174.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.2 p -83.97 28.41 0.6 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.889 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt -80.44 100.19 8.37 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.649 ' HB2' ' HB3' ' A' ' 134' ' ' GLU . 60.3 mtp -121.2 140.79 51.55 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' HA ' ' A' ' 106' ' ' ILE . 63.6 mtt -126.72 120.78 30.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.794 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CZ ' HD12 ' A' ' 106' ' ' ILE . 76.6 m-85 -95.86 126.52 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 171.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.774 HG21 HD13 ' A' ' 122' ' ' LEU . 45.2 t -127.89 118.91 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.497 0.189 . . . . 0.0 110.708 -178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.428 ' O ' ' HA ' ' A' ' 129' ' ' ALA . 5.5 t -79.1 100.79 7.55 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.457 0.646 . . . . 0.0 109.326 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 69' ' ' SER . 4.0 p -101.0 -57.55 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.492 -168.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.469 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 55.8 p -70.81 -62.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 111.3 -171.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.22 5.38 81.16 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.09 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.436 HD21 ' HB2' ' A' ' 76' ' ' GLU . 3.9 p-10 -125.85 146.98 57.17 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 -178.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.22 -38.75 73.97 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.056 2.504 . . . . 0.0 113.369 -175.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -67.3 118.27 10.44 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 111.388 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 77' ' ' THR . 12.4 pt-20 -75.2 -20.97 59.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -172.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.594 ' HD3' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -52.98 -37.13 61.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.357 178.601 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.594 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 12.8 mm-40 -65.4 -52.39 53.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.427 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 74' ' ' GLU . 15.3 t -63.41 -33.55 75.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.763 0.316 . . . . 0.0 110.277 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.46 -50.65 66.68 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.21 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 62.8 mm-40 -58.1 -55.97 28.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.909 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.413 HG12 HE22 ' A' ' 125' ' ' GLN . 9.3 tp -66.61 -39.17 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -174.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.5 m -67.45 -35.24 78.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.577 0.227 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.6 p -70.19 -37.15 75.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.022 176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 96.6 mt -61.74 -44.77 96.27 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 110.029 174.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.59 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 13.6 m0 -56.94 -56.16 25.29 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.235 175.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.458 ' O ' ' HD1' ' A' ' 89' ' ' PHE . 8.8 tt0 -47.02 -53.81 11.66 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.646 0.591 . . . . 0.0 110.583 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -55.41 -52.96 44.19 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.21 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 m -57.23 -39.58 75.82 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.646 0.26 . . . . 0.0 111.276 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 80.4 mt -64.4 -39.58 94.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.019 0.438 . . . . 0.0 110.779 -178.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.458 ' HD1' ' O ' ' A' ' 85' ' ' GLN . 47.0 m-85 -78.4 -26.84 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -75.15 -26.88 59.47 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.47 5.86 22.34 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 65.99 19.61 11.23 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.079 175.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -66.63 -59.07 3.94 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.498 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.558 ' HB3' HH12 ' A' ' 110' ' ' ARG . 28.1 t70 64.12 103.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 -171.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 166.69 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.055 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.67 ' HB3' ' HB3' ' A' ' 108' ' ' MET . 48.0 tp60 -100.02 138.16 37.48 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.632 ' HD3' ' N ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -134.76 141.13 46.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.842 0.353 . . . . 0.0 111.275 -168.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' HB2' HG23 ' A' ' 106' ' ' ILE . 59.8 m-85 -141.33 157.65 44.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.208 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -121.11 90.16 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.612 0.72 . . . . 0.0 109.946 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 100' ' ' VAL . 18.8 m -108.88 99.91 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.919 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.64 103.23 0.99 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 p -44.09 -33.27 1.42 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.44 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 13.5 t70 -63.08 -37.66 88.11 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.059 0.457 . . . . 0.0 111.917 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 104' ' ' ARG . 10.2 ptm180 -129.38 125.8 37.43 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.255 0.55 . . . . 0.0 111.928 -169.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.05 163.58 13.6 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 98' ' ' PHE . 3.3 tt -138.31 140.05 40.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.984 0.421 . . . . 0.0 111.473 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -125.99 162.59 24.91 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.67 ' HB3' ' HB3' ' A' ' 96' ' ' GLN . 51.2 ttm -135.43 119.34 17.38 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 118' ' ' ILE . 5.4 mp -103.67 164.42 11.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.734 -174.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.558 HH12 ' HB3' ' A' ' 94' ' ' ASP . 85.6 mtm-85 -87.72 -55.48 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.682 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -135.44 162.59 32.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.043 0.449 . . . . 0.0 111.079 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.56 ' HA2' ' HB2' ' A' ' 115' ' ' ALA . . . -76.6 -2.42 75.23 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.654 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -52.01 -29.96 23.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.97 0.508 . . . . 0.0 111.815 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.479 ' O ' HG22 ' A' ' 118' ' ' ILE . 35.8 p90 -129.04 12.25 6.12 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.108 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.56 ' HB2' ' HA2' ' A' ' 112' ' ' GLY . . . -59.04 -49.9 76.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.492 -176.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -74.22 -26.59 60.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.038 -175.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.83 -49.5 37.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.154 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.674 HG21 HD21 ' A' ' 109' ' ' LEU . 11.7 tt -65.32 -42.31 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.23 -40.74 86.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.9 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.47 -51.66 68.94 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.85 -38.55 61.63 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.946 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.774 HD13 HG21 ' A' ' 66' ' ' VAL . 81.8 mt -72.58 -53.02 13.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.331 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 129' ' ' ALA . 32.8 m -71.49 -19.92 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.6 m -79.44 -0.72 34.17 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.611 ' HG2' ' H ' ' A' ' 127' ' ' ARG . 36.1 tt0 -66.09 145.73 55.5 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.033 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.68 -19.33 62.22 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.098 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.611 ' H ' ' HG2' ' A' ' 125' ' ' GLN . 71.8 mtt-85 -83.21 7.33 16.54 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 37.6 m 58.21 43.34 20.58 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.113 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 123' ' ' VAL . . . -61.86 98.99 0.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.055 -177.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.64 141.31 36.6 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.144 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.2 p -102.85 155.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.5 m -140.04 120.09 13.67 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 175.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.608 HD12 ' HD1' ' A' ' 138' ' ' TYR . 80.6 mt -86.62 118.42 26.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.938 0.399 . . . . 0.0 110.291 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.649 ' HB3' ' HB2' ' A' ' 63' ' ' MET . 7.8 tp10 -95.2 150.39 20.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.372 -178.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 86.07 -152.85 26.16 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -114.04 90.45 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.519 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -168.18 98.31 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.608 ' HD1' HD12 ' A' ' 133' ' ' LEU . 51.4 t80 -161.21 136.75 5.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.52 84.85 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.38 2.053 . . . . 0.0 111.968 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 125.41 -166.29 18.2 Favored Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.92 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 24.0 tptm . . . . . 0 C--O 1.246 0.869 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.522 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -169.54 -174.71 1.97 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mm -63.34 -58.64 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -67.6 -35.6 79.28 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.17 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.36 -46.88 87.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.183 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -58.31 -48.59 80.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.291 176.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -57.11 -65.57 0.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.445 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -54.52 -58.5 7.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.283 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -62.01 -63.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.786 -174.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 34.6 t70 -63.3 -47.07 83.8 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 120.758 0.314 . . . . 0.0 111.389 -172.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.401 ' O ' HD23 ' A' ' 15' ' ' LEU . 40.2 ttm -66.96 -36.14 81.53 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.382 -176.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 16' ' ' GLU . . . -62.58 -49.91 73.38 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 14.9 mmp_? -56.96 -26.95 60.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.25 -49.54 13.54 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.411 HD12 ' NE1' ' A' ' 18' ' ' TRP . 4.0 mm? -85.09 7.56 21.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -174.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 34.7 mm-40 -48.36 -28.82 3.43 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.741 0.305 . . . . 0.0 110.786 173.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -47.78 -46.89 30.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.79 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.411 ' NE1' HD12 ' A' ' 15' ' ' LEU . 14.7 m95 -67.81 -41.11 83.6 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.427 -174.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.86 -41.05 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.532 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.7 tttt -63.36 -45.52 90.79 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 25.1 t70 -56.93 -46.08 82.31 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.111 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.64 -44.22 89.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.833 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.57 -36.93 84.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.029 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.7 mt -70.79 -35.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.501 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 47.4 mm-40 -70.68 -50.86 32.06 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.34 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' H ' ' A' ' 27' ' ' GLY . 34.6 tt0 -169.95 175.02 5.3 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -174.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' H ' ' HG2' ' A' ' 26' ' ' GLU . . . 92.98 35.87 6.21 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -108.22 129.5 55.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.777 -0.712 . . . . 0.0 110.143 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' GLU . 8.7 mp -102.56 110.32 62.74 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.62 81.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 123.496 2.797 . . . . 0.0 114.108 -171.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.0 pt-20 -96.08 -13.91 23.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.782 173.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -68.91 135.81 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.34 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.696 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -96.23 176.82 5.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 -177.525 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -86.91 113.62 54.26 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.033 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.21 -45.52 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 121.961 1.774 . . . . 0.0 110.008 170.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.3 m -132.47 111.07 10.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.938 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.671 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -86.5 -52.04 0.45 Allowed Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.489 175.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.671 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 16.1 Cg_exo -69.7 124.12 10.8 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.232 1.954 . . . . 0.0 111.567 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.1 tt -60.25 -17.04 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.384 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.92 -41.73 58.91 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -62.91 -37.81 88.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.736 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -75.73 -30.0 59.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -74.76 -50.48 17.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.822 -178.349 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.18 -39.28 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.44 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.2 t70 60.1 79.78 0.28 Allowed Pre-proline 0 N--CA 1.468 0.426 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.19 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.36 172.33 12.44 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.906 2.404 . . . . 0.0 112.248 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.1 -44.83 1.18 Allowed Glycine 0 CA--C 1.511 -0.215 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.05 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -72.97 129.82 85.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -86.25 158.13 9.72 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.734 2.289 . . . . 0.0 112.394 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 43.4 mt-10 -106.65 28.5 7.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.658 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.8 p -43.84 -64.94 0.57 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.839 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.8 pp -61.29 -31.59 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.405 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 52' ' ' ILE . 2.9 tm? -64.91 -48.88 72.59 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HE2' ' HB2' ' A' ' 50' ' ' GLU . 56.6 mmtt -73.48 -29.95 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.041 0.448 . . . . 0.0 109.83 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.6 ttp -74.91 -18.43 60.41 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.01 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.9 m -58.6 99.32 0.05 OUTLIER 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.078 0.466 . . . . 0.0 110.113 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -114.22 136.52 52.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.553 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.773 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -83.74 146.38 28.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.554 176.156 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.51 56.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -174.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -117.31 129.77 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.14 0.495 . . . . 0.0 110.728 -178.745 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -119.44 1.19 11.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.604 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD22 HD13 ' A' ' 109' ' ' LEU . 1.4 tt -79.85 110.43 15.2 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.195 0.521 . . . . 0.0 110.194 -173.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.567 ' SD ' HD11 ' A' ' 106' ' ' ILE . 53.8 mtm -131.83 130.55 41.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.351 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.429 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 63.6 mtt -108.05 118.59 37.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.881 0.372 . . . . 0.0 110.266 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -93.77 106.54 18.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.013 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 131' ' ' VAL . 35.7 t -97.27 107.28 19.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.571 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.0 m -72.77 91.65 1.5 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.754 HG11 HG21 ' A' ' 80' ' ' ILE . 57.7 t -81.75 -60.49 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.996 -172.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.485 ' OG ' ' HA ' ' A' ' 103' ' ' ASP . 37.3 p -91.79 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.146 0.498 . . . . 0.0 111.707 -172.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 88.65 -0.95 83.37 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -173.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.589 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 5.4 p-10 -126.34 159.64 61.82 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 123.089 0.556 . . . . 0.0 109.531 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.589 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 38.7 Cg_endo -64.36 -23.84 65.05 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.79 2.327 . . . . 0.0 114.317 -167.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.54 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 80.9 p -64.63 96.6 0.18 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.09 0.472 . . . . 0.0 110.892 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.08 -20.21 63.77 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.98 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -40.7 -56.17 2.21 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.291 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -54.45 -58.61 6.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.343 -176.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 26.2 m -63.48 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.461 -175.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.95 -51.12 63.58 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.001 0.429 . . . . 0.0 110.37 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' HD13 ' A' ' 83' ' ' LEU . 22.6 mm-40 -58.01 -53.15 61.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.924 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.754 HG21 HG11 ' A' ' 68' ' ' VAL . 9.7 tp -61.49 -37.28 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.676 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.1 m -64.51 -30.81 71.84 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.554 175.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 85' ' ' GLN . 39.9 m -70.7 -40.93 72.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.488 176.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.51 -47.56 85.6 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -63.65 -34.85 78.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.468 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.445 ' HB3' ' O ' ' A' ' 82' ' ' SER . 28.4 tt0 -54.21 -62.58 1.56 Allowed 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.05 -51.29 56.58 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.251 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 m -59.51 -50.34 74.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.82 -47.15 72.94 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.591 0.234 . . . . 0.0 111.096 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -70.48 -28.34 64.91 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.414 -177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -68.41 -31.16 70.31 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 172.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.02 9.72 11.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.597 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 66.71 22.14 10.44 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.337 0.655 . . . . 0.0 112.228 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -79.94 89.62 5.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 173.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.526 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 35.8 m-20 -72.82 79.98 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.89 -179.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.123 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -121.17 154.31 36.4 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.84 130.13 19.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.064 0.459 . . . . 0.0 110.118 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.476 ' HB2' HG23 ' A' ' 106' ' ' ILE . 57.1 m-85 -131.83 159.68 37.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 178.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 102' ' ' SER . 13.2 tt -125.39 89.01 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.75 0.786 . . . . 0.0 110.782 177.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 100' ' ' VAL . 16.9 m -99.57 100.16 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.952 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.66 103.83 1.7 Allowed Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -169.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.461 ' HA ' HD11 ' A' ' 99' ' ' ILE . 24.3 m -54.84 -7.94 0.22 Allowed 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -173.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.485 ' HA ' ' OG ' ' A' ' 69' ' ' SER . 3.8 p-10 -91.72 -29.65 16.71 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.565 0.221 . . . . 0.0 111.172 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -124.32 124.87 43.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.137 0.494 . . . . 0.0 111.646 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.92 127.15 43.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.968 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.567 HD11 ' SD ' ' A' ' 63' ' ' MET . 2.4 tt -99.95 112.82 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.796 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -100.87 120.18 39.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.203 177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 50.5 ttm -91.92 132.24 36.64 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.533 HD13 HD22 ' A' ' 62' ' ' LEU . 7.8 mp -98.3 165.38 11.89 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -171.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.526 ' NH1' ' HB2' ' A' ' 94' ' ' ASP . 40.3 ttt180 -91.12 -32.12 15.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.915 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -164.45 166.06 20.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.493 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -87.27 -11.59 69.11 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.706 -174.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.6 m -56.62 -28.03 59.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.978 0.389 . . . . 0.0 112.018 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -118.84 25.64 10.08 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.788 0.327 . . . . 0.0 110.498 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 -50.78 72.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.408 ' N ' ' HE3' ' A' ' 116' ' ' TRP . 0.3 OUTLIER -66.32 -31.06 71.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.404 178.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -64.62 -51.82 60.69 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.579 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.569 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.2 tt -69.43 -40.56 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.433 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.579 ' HD2' HD11 ' A' ' 133' ' ' LEU . 64.7 tttp -60.2 -41.81 93.77 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.997 0.427 . . . . 0.0 110.433 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.549 ' HA ' HG22 ' A' ' 123' ' ' VAL . 24.1 t70 -64.7 -44.96 88.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.703 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -55.95 -40.5 73.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.554 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 96.8 mt -67.26 -42.4 83.95 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.069 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 120' ' ' ASP . 20.0 m -79.19 -8.87 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.157 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.7 m -62.57 -15.09 49.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.968 0.413 . . . . 0.0 110.588 172.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.05 133.33 55.99 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.056 173.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -53.45 -46.36 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 84.9 mtm-85 -87.45 38.54 0.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.533 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.8 p -47.29 110.27 0.29 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.695 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -105.02 -158.32 0.66 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.126 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -79.76 117.7 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.214 0.53 . . . . 0.0 112.135 -175.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 66' ' ' VAL . 60.9 t -107.39 97.37 5.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.759 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.5 p -92.55 139.38 30.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.579 HD11 ' HD2' ' A' ' 119' ' ' LYS . 7.0 mp -101.21 134.22 44.59 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.045 0.45 . . . . 0.0 111.296 -177.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -121.46 140.86 51.63 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 171.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 113.35 70.32 0.54 Allowed Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.113 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.03 -75.65 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.064 0.545 . . . . 0.0 111.39 172.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 23.0 ptm -74.72 100.93 4.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.467 0.651 . . . . 0.0 111.52 -172.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 133' ' ' LEU . 51.4 t80 -154.34 118.19 2.61 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.581 176.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.14 125.35 15.62 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.719 2.279 . . . . 0.0 111.875 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 130.27 55.69 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 13.4 mptt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.529 -176.626 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 112.027 -0.429 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.491 ' OD1' ' HD3' ' A' ' 4' ' ' ARG . 16.4 t70 -141.92 172.3 12.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.7 tt -61.16 -26.95 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.491 ' HD3' ' OD1' ' A' ' 2' ' ' ASP . 5.4 mpt_? -57.01 -47.26 81.28 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.278 175.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.99 -49.29 76.2 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.407 0.442 . . . . 0.0 110.087 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -55.24 -45.1 76.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.175 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 11' ' ' MET . 95.0 m-20 -61.82 -65.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.943 -177.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.532 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.2 p30 -57.63 -50.69 72.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.327 -175.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -64.76 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.52 0.2 . . . . 0.0 111.468 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -72.55 -52.83 13.94 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.205 -172.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 10.5 mmt -60.72 -42.2 96.8 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.871 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -70.69 -44.24 67.36 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.076 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -54.16 -31.43 52.62 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.368 . . . . 0.0 110.583 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.3 mt -80.18 -44.14 20.33 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.16 24.54 8.55 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.68 0.276 . . . . 0.0 110.943 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 38.3 tt0 -45.85 -52.26 11.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.443 0.697 . . . . 0.0 112.45 -173.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -54.34 -56.51 17.8 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.444 0.64 . . . . 0.0 111.102 -177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -63.58 -39.18 93.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.864 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -71.64 -45.08 63.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.562 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 12.0 ptmm? -62.79 -47.22 84.43 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.79 -44.7 80.58 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.04 -40.3 80.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.95 -41.25 87.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.012 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 20' ' ' LYS . 85.9 mt -61.21 -39.7 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.087 0.47 . . . . 0.0 110.512 178.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -82.61 -21.62 35.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.722 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 64.45 19.7 11.89 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.368 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.9 21.36 73.26 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.922 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -79.19 89.45 4.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 76.5 mt -77.56 135.89 64.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.635 -176.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 18.1 Cg_exo -66.85 75.79 0.42 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.698 2.265 . . . . 0.0 111.616 176.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -88.11 -14.74 38.04 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 109.651 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -96.93 133.49 41.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.881 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.595 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 1.6 tpmt? -70.51 138.04 50.72 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.653 -175.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.558 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 12.2 tpp180 -68.01 114.19 19.25 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.056 173.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.558 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 89.9 Cg_endo -82.15 2.42 8.54 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.162 2.574 . . . . 0.0 114.052 -173.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.3 p -68.07 110.97 4.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.594 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.446 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -88.34 -47.8 0.44 Allowed Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.099 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 89.7 Cg_endo -76.82 47.81 2.28 Favored 'Trans proline' 0 C--N 1.361 1.19 0 C-N-CA 122.511 2.141 . . . . 0.0 112.719 -177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 pt -53.91 -26.38 14.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.892 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.49 -61.34 2.24 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.992 0.425 . . . . 0.0 110.529 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.426 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 80.0 m-85 -59.9 -37.22 78.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.509 -177.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -64.95 -32.66 74.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.196 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -81.18 -35.56 31.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.455 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.09 -22.49 62.09 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 61.84 90.4 0.09 OUTLIER Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.055 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 67.1 Cg_endo -71.94 147.76 50.11 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.653 2.235 . . . . 0.0 112.177 -176.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.8 -5.64 34.84 Favored Glycine 0 C--N 1.33 0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.965 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.581 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 45.8 mmtm -98.06 115.15 65.79 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 23.1 Cg_exo -64.33 -79.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.864 2.376 . . . . 0.0 112.745 -175.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.14 1.46 26.24 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.033 -176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.581 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 9.2 m -54.57 -41.57 69.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.8 pp -63.47 -37.03 78.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 52' ' ' ILE . 57.8 tp -75.39 -28.59 59.51 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.312 0.577 . . . . 0.0 110.099 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -80.75 -29.2 36.29 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.778 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.8 ttp -94.6 -22.3 18.27 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.129 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.6 m -110.81 105.23 14.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.764 0.316 . . . . 0.0 110.204 177.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -114.6 122.86 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.688 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.703 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -82.86 160.1 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.57 60.27 0.43 Allowed Glycine 0 CA--C 1.511 -0.165 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -173.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.716 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 11.6 mmpt? -88.43 144.72 26.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.241 -0.48 . . . . 0.0 110.252 -174.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.7 m -90.26 4.4 50.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.732 -171.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp -102.73 109.71 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.076 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 63' ' ' MET . 1.3 pmm? -128.84 153.43 47.46 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.224 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.777 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 58.1 mtt -127.2 123.41 36.56 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.345 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -92.45 100.32 12.89 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 t -91.29 101.03 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.341 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 130' ' ' GLU . 5.7 t -84.18 102.62 12.73 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.534 0.683 . . . . 0.0 109.727 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 80' ' ' ILE . 43.6 t -102.4 -51.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.111 -173.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 41.9 t -64.45 -72.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.161 -170.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.81 56.61 Favored Glycine 0 CA--C 1.524 0.598 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.581 -171.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.592 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 3.3 p-10 -125.8 159.62 60.37 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.592 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 55.8 Cg_endo -67.91 -19.01 46.84 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.505 2.137 . . . . 0.0 114.33 -168.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.425 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 13.3 p -85.74 168.83 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.145 -0.347 . . . . 0.0 111.039 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 102' ' ' SER . 0.0 OUTLIER -103.64 -31.99 9.62 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -176.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.582 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -52.18 -42.0 63.1 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -168.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -59.64 -49.81 76.31 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 -175.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.583 ' HA ' HG22 ' A' ' 80' ' ' ILE . 58.3 m -74.25 -36.33 63.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.469 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.14 -52.35 64.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 109.697 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.51 -54.36 41.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.799 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.65 HG21 HG11 ' A' ' 68' ' ' VAL . 11.0 tp -59.84 -37.46 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.984 -175.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.6 m -68.89 -35.81 77.32 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.544 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.0 m -64.82 -38.13 89.96 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.466 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.71 -47.11 85.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.204 175.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.1 m0 -61.51 -36.74 81.39 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.544 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.619 ' HG2' ' HD2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -57.65 -53.4 58.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.06 98.31 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.423 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.433 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 43.3 m -66.55 -58.69 4.68 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -174.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.39 -34.4 72.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 111.461 -174.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -88.66 -21.46 23.94 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 18.2 p30 -76.37 -24.7 54.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.45 0.85 57.13 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.17 173.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.7 m120 62.24 63.95 1.01 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.119 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -109.2 112.38 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 170.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.27 84.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 110.424 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.02 -176.18 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.994 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.59 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 3.9 mm-40 -138.98 157.14 46.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.527 178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.619 ' HD2' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -156.48 134.97 11.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.592 179.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -141.19 155.72 46.02 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.9 tt -112.8 96.25 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.528 0.68 . . . . 0.0 110.04 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.0 p -114.79 105.44 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.94 99.82 0.35 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 -169.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' ' 74' ' ' GLU . 42.4 p -50.48 -20.24 1.09 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -168.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.671 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 11.9 m-20 -60.27 -40.83 91.76 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -132.47 142.35 49.2 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.248 0.547 . . . . 0.0 111.862 -174.625 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.79 128.77 51.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.138 170.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -92.17 116.5 33.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.094 0.473 . . . . 0.0 111.005 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -103.5 128.67 50.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.276 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.59 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 65.5 mtt -104.78 127.75 52.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -113.9 168.56 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.614 -174.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.602 ' HA ' ' HG3' ' A' ' 60' ' ' LYS . 56.5 mtp180 -96.56 -56.57 2.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.197 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -122.67 152.46 40.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.555 -170.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.53 -5.38 63.46 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.012 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.2 p -65.8 -72.87 0.14 Allowed 'General case' 0 C--O 1.236 0.362 0 C-N-CA 122.448 0.299 . . . . 0.0 110.88 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.12 -12.9 61.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.432 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 119' ' ' LYS . . . -50.55 -39.32 48.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.381 0.61 . . . . 0.0 110.911 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.672 ' HA ' ' HE2' ' A' ' 119' ' ' LYS . 3.2 m95 -71.51 -41.16 69.57 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.698 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.14 -28.99 64.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -76.81 -31.66 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.672 ' HE2' ' HA ' ' A' ' 116' ' ' TRP . 42.0 mtmt -54.4 -56.31 19.88 Favored 'General case' 0 C--N 1.346 0.445 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 168.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -55.13 -40.73 70.86 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.559 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -58.99 -45.72 89.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.526 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 85.7 mt -63.22 -39.44 94.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.069 0.461 . . . . 0.0 110.091 175.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 119' ' ' LYS . 82.1 t -64.8 -24.62 35.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.622 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.5 m -75.98 -0.81 22.91 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.472 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 125' ' ' GLN . 9.9 mm-40 -81.2 145.97 30.73 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.354 0.597 . . . . 0.0 111.726 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -49.11 -41.85 37.27 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.582 -1.19 . . . . 0.0 112.783 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.77 6.86 39.59 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -168.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.7 t 64.65 -73.76 0.05 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 70.48 -169.57 0.16 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.112 0.565 . . . . 0.0 111.006 -176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.527 ' HB3' HG23 ' A' ' 67' ' ' THR . 34.2 tt0 -138.78 147.54 42.72 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.05 138.52 37.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 120.949 0.404 . . . . 0.0 111.116 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.4 m -122.55 152.6 40.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 173.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.777 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 1.6 pt? -141.62 169.71 17.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 117.865 0.302 . . . . 0.0 111.306 -177.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.38 140.85 56.96 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.534 172.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 94.85 28.42 10.14 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -173.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 67.12 -67.63 0.17 Allowed 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.417 0.687 . . . . 0.0 110.556 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.0 OUTLIER -165.08 -50.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -110.39 146.55 34.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.608 175.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -67.05 163.45 33.94 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.612 2.208 . . . . 0.0 112.462 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.61 -174.59 9.3 Favored Glycine 0 C--O 1.237 0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.617 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.128 -179.057 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 112.172 -0.371 . . . . 0.0 112.172 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -109.28 -41.62 4.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' HG13 ' A' ' 3' ' ' ILE . 31.5 pt -61.67 116.54 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.891 178.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 5' ' ' ASP . 12.9 ptm180 -111.48 -44.16 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.284 174.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 4' ' ' ARG . 5.1 m-20 -61.99 -47.33 85.27 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.472 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 73.5 t80 -60.05 -48.5 81.47 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.218 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.572 ' O ' ' HB3' ' A' ' 11' ' ' MET . 81.0 m-20 -56.34 -65.79 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.269 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.45 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.699 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.63 -64.86 0.73 Allowed 'General case' 0 C--O 1.24 0.598 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -174.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 2.7 m-20 -67.89 -54.97 14.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.246 -172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.572 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 45.9 ttm -65.66 -34.7 78.82 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.449 -171.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLU . . . -61.89 -55.73 26.65 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 173.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 16.2 mmt180 -62.54 -12.31 21.78 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 80.8 mt -82.79 -42.01 18.45 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.385 0.136 . . . . 0.0 110.987 172.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 11' ' ' MET . 1.6 pp -126.71 38.06 4.18 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 111.224 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ALA . 9.1 pt-20 -49.01 -16.73 0.15 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -177.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -57.15 -49.36 76.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 173.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -62.81 -41.59 99.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.073 0.463 . . . . 0.0 110.445 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -55.08 -45.55 75.4 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.778 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -71.7 -36.03 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 -176.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -56.11 -54.47 44.65 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 11.9 m-20 -73.91 -21.65 59.98 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.382 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.1 -44.16 63.64 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.732 0.301 . . . . 0.0 110.48 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.2 mt -76.23 -54.36 13.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.574 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -77.6 -16.49 58.56 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 11.3 tt0 61.28 78.09 0.3 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.5 170.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.66 87.22 0.02 OUTLIER Glycine 0 C--N 1.334 0.44 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.94 172.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.29 129.84 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.652 0.226 . . . . 0.0 110.399 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 90.8 mt -66.79 121.69 78.84 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.342 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 21.4 Cg_exo -66.37 165.77 23.7 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.758 2.305 . . . . 0.0 111.96 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -76.06 2.73 12.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.477 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -98.7 105.23 17.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.987 0.422 . . . . 0.0 110.384 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -120.95 125.93 48.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 31.0 ptt180 -76.83 117.38 64.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.591 0.234 . . . . 0.0 110.453 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.83 -8.91 19.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.188 . . . . 0.0 111.475 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -123.74 109.95 14.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.626 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -98.43 -52.5 0.2 Allowed Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.034 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 71.9 Cg_endo -82.79 42.69 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.413 2.075 . . . . 0.0 113.058 -175.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.19 -49.51 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.29 -44.05 88.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.49 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.69 -37.45 87.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.771 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -73.35 -28.48 62.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.595 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -75.87 -53.59 8.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.345 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.71 -30.83 36.28 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.364 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.2 t70 53.38 76.65 0.51 Allowed Pre-proline 0 N--CA 1.469 0.497 0 CA-C-O 121.116 0.484 . . . . 0.0 110.63 -174.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.47 147.41 32.2 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.371 2.047 . . . . 0.0 111.813 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.2 0.59 41.2 Favored Glycine 0 CA--C 1.516 0.114 0 C-N-CA 121.302 -0.475 . . . . 0.0 112.682 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -69.29 147.69 97.24 Favored Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -51.07 142.56 34.45 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.878 2.386 . . . . 0.0 112.873 -177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -87.91 16.4 5.97 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.007 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.2 m -52.33 -54.41 32.01 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.498 0.319 . . . . 0.0 111.496 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.9 pp -62.62 -34.83 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 CA-C-O 120.815 0.341 . . . . 0.0 110.964 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 52' ' ' ILE . 6.0 tt -64.02 -48.15 77.46 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -70.35 -26.94 63.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.898 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 57.3 ttp -81.91 -21.17 37.51 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.27 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.7 p -99.79 99.92 10.8 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.951 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -101.96 138.82 38.42 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.561 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -63.32 153.78 33.83 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 176.472 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.6 29.77 6.46 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.256 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.537 ' HG3' ' H ' ' A' ' 62' ' ' LEU . 24.1 tptm -79.92 137.42 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.4 t -75.52 9.9 1.96 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.537 ' H ' ' HG3' ' A' ' 60' ' ' LYS . 3.3 tt -91.5 99.91 12.76 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.573 ' HB2' ' HB2' ' A' ' 134' ' ' GLU . 46.4 mtt -128.84 149.79 50.6 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.9 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.9 mtt -129.86 118.83 22.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.483 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' HE2' ' HG2' ' A' ' 134' ' ' GLU . 97.8 m-85 -90.0 101.99 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 173.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.533 HG13 HG22 ' A' ' 131' ' ' VAL . 25.0 t -94.23 101.08 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.421 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.464 ' HB ' ' HG3' ' A' ' 130' ' ' GLU . 36.8 m -82.92 110.04 17.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.975 0.417 . . . . 0.0 109.923 177.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 80' ' ' ILE . 45.3 t -102.03 -54.34 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.622 -172.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.675 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 52.8 p -79.69 -59.75 2.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.328 -172.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.15 3.25 89.59 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 44.8 p30 -127.42 169.19 12.84 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 122.898 0.479 . . . . 0.0 109.774 177.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.01 -18.58 62.52 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.846 2.364 . . . . 0.0 112.571 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.43 HG23 ' HD3' ' A' ' 75' ' ' LYS . 32.5 m -62.77 95.23 0.07 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.458 0.647 . . . . 0.0 111.038 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.13 -15.75 62.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.128 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 3.5 mptp? -59.93 -39.52 85.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.453 -175.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 18.5 mm-40 -63.52 -55.04 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 t -63.52 -39.0 93.29 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.552 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -60.81 -52.74 63.79 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.294 0.568 . . . . 0.0 110.709 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 6.5 mm-40 -62.35 -49.13 76.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.304 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.518 HG21 HG11 ' A' ' 68' ' ' VAL . 9.9 tp -66.05 -37.23 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.831 -176.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 78.7 m -66.2 -41.71 89.81 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.896 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.48 ' HA ' HE21 ' A' ' 85' ' ' GLN . 5.0 p -63.97 -41.48 97.53 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.737 0.304 . . . . 0.0 110.579 177.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 98.7 mt -59.25 -47.04 86.83 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.104 0.478 . . . . 0.0 110.534 175.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.456 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.6 m0 -63.77 -41.49 97.95 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.13 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.48 HE21 ' HA ' ' A' ' 82' ' ' SER . 47.6 mt-30 -54.93 -47.99 73.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.932 0.396 . . . . 0.0 109.989 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.12 -49.8 72.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.063 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.0 m -63.78 -46.52 84.86 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.459 HD13 HG21 ' A' ' 95' ' ' VAL . 95.3 mt -62.25 -49.7 74.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 -175.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -73.38 -19.88 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.955 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -72.67 -40.66 66.11 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.861 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.48 -2.99 55.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.125 174.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 62.99 82.55 0.18 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.242 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -118.88 154.76 32.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.014 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.492 ' HB3' ' HE ' ' A' ' 110' ' ' ARG . 20.0 m-20 -95.94 78.79 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.323 0.582 . . . . 0.0 109.624 177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.459 HG21 HD13 ' A' ' 88' ' ' LEU . 26.8 m -125.71 146.95 30.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.602 -173.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.543 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 52.0 mt-30 -113.45 158.99 19.97 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 170.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.572 ' HD3' ' N ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.6 138.02 21.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.622 0.248 . . . . 0.0 110.983 -173.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -141.52 132.51 26.08 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.975 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.8 tt -99.15 108.62 22.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 121.408 0.623 . . . . 0.0 110.486 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.26 129.77 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.528 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.73 102.33 0.18 Allowed Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -172.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.5 m -48.36 -24.39 1.21 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.69 -38.63 89.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 120.964 0.411 . . . . 0.0 111.757 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.478 ' HD3' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -136.57 178.71 6.86 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.677 0.751 . . . . 0.0 112.584 -168.104 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -144.36 145.75 32.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.361 -1.29 . . . . 0.0 108.029 171.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.8 tt -111.16 133.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.27 143.39 40.52 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.403 174.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.543 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 64.2 mtt -125.0 121.3 34.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.515 ' O ' ' HB3' ' A' ' 60' ' ' LYS . 66.3 mt -90.33 145.62 24.83 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.492 ' HE ' ' HB3' ' A' ' 94' ' ' ASP . 27.6 mtm105 -95.43 5.53 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 109.918 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.21 -166.64 1.91 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.404 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.13 29.12 1.38 Allowed Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 111.689 -0.565 . . . . 0.0 111.689 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 m -101.2 -68.69 0.8 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -84.92 22.12 1.45 Allowed 'General case' 0 N--CA 1.473 0.685 0 O-C-N 122.193 -0.317 . . . . 0.0 111.386 -173.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.27 68.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.617 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -27.74 63.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.288 -179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.26 -44.7 58.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.568 0.223 . . . . 0.0 110.425 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.562 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.7 tt -68.64 -39.49 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.512 ' HE2' ' HB ' ' A' ' 131' ' ' VAL . 10.0 tmtt? -56.72 -47.29 80.29 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.506 ' HA ' HG12 ' A' ' 123' ' ' VAL . 15.9 t70 -61.76 -45.38 94.16 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.173 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -55.54 -40.32 71.72 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.804 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 89.3 mt -71.27 -44.86 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.134 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 120' ' ' ASP . 14.6 p -73.94 -24.47 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 111.209 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.8 m -68.7 -4.28 15.18 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.408 176.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.577 ' HG3' ' H ' ' A' ' 127' ' ' ARG . 7.7 tp-100 -59.29 135.54 57.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.051 174.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.92 -29.74 56.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.692 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.577 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 10.4 mpt_? -73.22 -4.72 34.79 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.73 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 42.0 t 58.7 36.69 25.06 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.118 0.485 . . . . 0.0 110.694 179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.43 130.98 48.7 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.507 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.464 ' HG3' ' HB ' ' A' ' 67' ' ' THR . 10.8 pt-20 -81.07 118.8 22.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.533 HG22 HG13 ' A' ' 66' ' ' VAL . 46.8 t -101.5 103.45 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.049 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.0 m -97.64 136.97 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.72 154.08 21.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.584 0.231 . . . . 0.0 110.469 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.573 ' HB2' ' HB2' ' A' ' 63' ' ' MET . 0.4 OUTLIER -69.79 87.38 0.52 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.15 173.65 49.82 Favored Glycine 0 C--O 1.237 0.289 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.323 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.02 76.83 0.49 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.18 0.514 . . . . 0.0 109.87 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 43.5 ttp -84.37 -44.0 14.17 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.708 -173.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.736 ' HB2' ' HD3' ' A' ' 139' ' ' PRO . 83.7 m-85 -138.67 -60.39 0.02 OUTLIER Pre-proline 0 N--CA 1.47 0.56 0 CA-C-O 119.43 -0.319 . . . . 0.0 111.676 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.736 ' HD3' ' HB2' ' A' ' 138' ' ' TYR . 81.6 Cg_endo -94.08 9.82 2.06 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.545 2.163 . . . . 0.0 113.227 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.85 -176.92 36.7 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.035 -175.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.416 178.453 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -77.46 64.15 2.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 110.282 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 pt -75.06 -25.25 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.404 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -57.44 -49.97 74.55 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.961 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.27 -40.67 91.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.607 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 15.0 t80 -60.19 -49.98 75.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 178.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 11' ' ' MET . 49.7 m-80 -64.19 -51.47 63.59 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.665 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 22.7 t70 -52.48 -71.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.414 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.6 -70.86 0.07 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.73 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.4 m-20 -61.5 -65.37 0.7 Allowed 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.359 -173.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.1 mmt -68.18 -42.7 79.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.675 -0.238 . . . . 0.0 111.256 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -73.48 -45.03 56.48 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.758 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -68.71 -23.17 64.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.933 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 10' ' ' ASP . 57.6 mt -71.99 -48.6 43.68 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.13 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.17 -7.52 58.98 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -174.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 12' ' ' ALA . 52.7 mm-40 -48.62 -41.92 32.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 111.236 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -61.62 -38.0 86.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.989 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -70.74 -43.32 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.719 -176.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.26 -34.79 76.85 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.396 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 24' ' ' ILE . 87.4 tttt -65.07 -48.72 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.417 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.2 -40.45 96.1 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.203 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -60.32 -38.84 84.97 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.986 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.61 -33.35 72.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.902 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 20' ' ' LYS . 79.8 mt -72.03 -38.3 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.515 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.91 -66.84 0.79 Allowed 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.047 -178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -109.98 135.23 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.969 0.414 . . . . 0.0 110.837 -176.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.44 39.39 5.98 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.873 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.28 162.48 26.49 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.447 HD12 ' HD2' ' A' ' 30' ' ' PRO . 35.1 tp -108.1 110.21 62.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.447 ' HD2' HD12 ' A' ' 29' ' ' LEU . 56.8 Cg_endo -69.31 73.64 1.14 Allowed 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.679 2.252 . . . . 0.0 112.836 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -76.79 -40.26 48.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -124.01 118.45 27.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.17 173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -97.28 155.79 16.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.32 0.581 . . . . 0.0 111.732 -174.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.78 100.63 49.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.84 -60.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.435 2.09 . . . . 0.0 113.614 -172.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 m -86.12 109.7 19.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.912 0.387 . . . . 0.0 111.2 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.2 -50.72 1.13 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.624 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -77.03 44.63 1.51 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.478 2.118 . . . . 0.0 113.035 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.2 pt -54.37 -33.39 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.592 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' O ' HD13 ' A' ' 44' ' ' LEU . 33.1 t70 -54.31 -52.06 62.69 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.604 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.49 -31.55 72.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.944 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 m -73.89 -33.45 64.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -82.26 -44.02 16.82 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 40' ' ' ASP . 9.8 mp -69.21 -40.24 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.076 176.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.6 t70 50.97 72.37 1.25 Allowed Pre-proline 0 N--CA 1.467 0.397 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.113 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -91.74 -7.54 3.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.754 2.303 . . . . 0.0 112.879 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.15 -67.03 1.82 Allowed Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.66 114.8 65.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.436 ' O ' HG12 ' A' ' 52' ' ' ILE . 52.6 Cg_exo -56.49 -18.68 26.3 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.97 2.447 . . . . 0.0 112.639 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -76.82 -27.4 55.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.93 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -57.65 -44.43 85.64 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 49' ' ' PRO . 33.3 pt -62.07 -35.81 70.68 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.311 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.84 -36.86 78.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.593 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -70.08 -35.07 73.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.275 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -90.72 -20.66 22.19 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.8 m -99.12 99.9 10.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.445 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -145.33 156.15 43.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -87.61 160.37 18.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.409 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.37 36.49 2.46 Favored Glycine 0 C--O 1.234 0.152 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.709 ' HZ2' ' HB2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -141.03 98.73 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.143 0.497 . . . . 0.0 110.261 -178.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.8 p -109.76 30.84 6.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.855 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.565 HD22 HD23 ' A' ' 109' ' ' LEU . 2.1 tt -78.56 99.38 6.49 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -173.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 48.3 mtm -127.18 138.53 53.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.245 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 131' ' ' VAL . 62.7 mtt -119.77 116.97 27.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.669 0.271 . . . . 0.0 110.858 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.66 98.64 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.506 HG21 HD13 ' A' ' 122' ' ' LEU . 13.4 t -89.92 106.32 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.018 -174.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.9 m -75.97 102.59 5.67 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.592 HG11 HG21 ' A' ' 80' ' ' ILE . 21.5 t -102.0 -62.34 2.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.058 0.456 . . . . 0.0 112.006 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -92.33 -55.18 3.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.127 -169.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.578 ' HA2' ' HB2' ' A' ' 103' ' ' ASP . . . 65.52 30.49 77.62 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.481 -173.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -116.97 165.47 15.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 122.736 0.414 . . . . 0.0 111.01 -171.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -68.7 -44.24 3.14 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.543 2.162 . . . . 0.0 112.242 174.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.612 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 7.0 p -73.83 91.4 1.95 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.415 0.626 . . . . 0.0 111.458 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.722 ' HG2' ' HB3' ' A' ' 102' ' ' SER . 32.7 mt-10 -55.49 -25.92 39.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.356 -177.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.612 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 14.7 ptmm? -44.1 -46.88 8.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.479 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 75' ' ' LYS . 42.7 mt-10 -65.03 -39.45 93.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.949 -173.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.6 m -65.47 -45.7 82.66 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -56.79 -52.45 65.0 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.254 0.549 . . . . 0.0 110.466 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 41.8 mt-10 -62.96 -47.68 82.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.435 -174.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.592 HG21 HG11 ' A' ' 68' ' ' VAL . 9.8 tp -62.06 -38.62 81.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.6 m -63.83 -34.55 78.17 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 120.839 0.352 . . . . 0.0 110.421 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m -66.47 -41.34 89.16 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.544 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.8 mp -60.01 -48.78 80.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.399 176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.523 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 27.7 m0 -60.87 -42.88 98.75 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.651 176.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HG3' ' HD2' ' A' ' 97' ' ' ARG . 29.3 tt0 -52.59 -55.67 20.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.41 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.37 -53.92 42.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.104 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.9 m -54.99 -46.74 75.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.07 -43.69 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.26 -25.27 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.041 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -21.26 63.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.075 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 14.83 30.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.491 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.1 m120 67.37 19.78 10.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.872 177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.1 m-30 -92.06 81.82 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.55 ' HB2' HH11 ' A' ' 110' ' ' ARG . 4.6 m-20 -69.54 77.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.176 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.2 m -87.61 151.27 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.816 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 17.2 mm100 -99.8 101.12 12.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.6 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -116.25 131.44 56.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.978 -170.034 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -138.44 159.04 43.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.365 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 10.7 tt -101.9 89.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.666 0.746 . . . . 0.0 110.443 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 100' ' ' VAL . 24.3 m -115.16 112.44 39.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.001 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.78 103.95 2.65 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -169.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.722 ' HB3' ' HG2' ' A' ' 74' ' ' GLU . 16.3 m -48.71 -23.8 1.17 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.578 ' HB2' ' HA2' ' A' ' 70' ' ' GLY . 8.7 p-10 -100.41 -17.87 17.0 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -176.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.62 140.87 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.191 0.52 . . . . 0.0 111.932 -171.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.16 171.57 7.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.572 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 10.2 tt -126.63 131.36 71.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.955 0.407 . . . . 0.0 110.751 178.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -122.0 109.87 15.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.465 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 51.5 ttp -93.41 129.61 39.5 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.565 HD23 HD22 ' A' ' 62' ' ' LEU . 4.0 mm? -94.31 153.12 18.17 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.197 0.522 . . . . 0.0 111.572 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.55 HH11 ' HB2' ' A' ' 94' ' ' ASP . 46.5 mtm180 -79.55 -52.75 7.61 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -105.63 -167.14 1.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.723 -174.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -138.23 21.7 3.11 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.288 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.4 m -87.07 -68.31 0.76 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.761 0.315 . . . . 0.0 110.713 -177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -89.78 12.52 16.89 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.716 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.21 -38.86 54.77 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.352 0.596 . . . . 0.0 110.825 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.457 ' O ' ' HB3' ' A' ' 119' ' ' LYS . 8.1 m95 -69.57 -36.05 75.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.481 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -74.71 -37.99 62.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.482 HD13 HD11 ' A' ' 109' ' ' LEU . 15.0 tt -68.87 -34.65 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 175.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 116' ' ' TRP . 22.0 ttpp -53.74 -53.12 56.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.832 170.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.604 ' HA ' HG12 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -58.89 -45.06 91.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.929 178.221 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -51.79 -46.11 64.07 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.058 0.456 . . . . 0.0 110.673 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.506 HD13 HG21 ' A' ' 66' ' ' VAL . 74.7 mt -65.29 -49.79 68.18 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.219 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 120' ' ' ASP . 7.7 p -74.08 -15.79 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.448 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 72.1 m -64.92 -10.84 31.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.219 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.523 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 13.0 mm-40 -54.19 140.54 32.18 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.849 0.357 . . . . 0.0 110.139 174.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.67 -36.13 75.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -81.15 6.68 13.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.317 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.1 m 59.77 81.41 0.17 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.616 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.07 97.19 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.105 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.36 129.02 34.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.05 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 64' ' ' MET . 5.3 p -117.52 128.69 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.09 -171.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.7 m -94.19 105.4 17.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.341 173.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.3 pp -93.21 152.19 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 0.0 111.612 -176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -121.03 142.57 49.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.513 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 166.69 148.62 5.65 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -80.38 -19.96 45.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.161 0.505 . . . . 0.0 109.871 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 52.3 ttp -87.17 102.77 14.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.112 177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -110.17 125.16 31.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.73 96.21 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.45 2.1 . . . . 0.0 112.415 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 107.29 129.9 6.27 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.33 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.135 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.963 -0.455 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 55.11 34.38 22.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.772 0.429 . . . . 0.0 111.131 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 pt -61.19 -31.5 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.869 -174.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.7 ttt85 -63.19 -41.74 99.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.041 0.448 . . . . 0.0 110.011 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.15 -44.85 78.74 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.319 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -59.58 -47.5 85.32 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.782 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.491 ' O ' ' HB2' ' A' ' 11' ' ' MET . 93.0 m-20 -61.48 -52.05 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.92 -65.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.6 -56.45 19.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.115 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.02 -45.88 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.657 -172.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 27.0 mmt -64.6 -38.29 90.51 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.318 -0.553 . . . . 0.0 109.854 178.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 16' ' ' GLU . . . -57.84 -47.21 83.34 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -55.44 -42.64 74.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.321 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.35 -43.2 98.38 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.602 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 11' ' ' MET . 10.9 mp -74.46 -18.88 60.57 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.671 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ALA . 58.5 mt-10 -58.17 -25.93 62.11 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 177.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -60.28 -50.74 72.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.341 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -68.04 -41.64 81.79 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.632 -176.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.25 -53.79 38.95 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.038 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -58.73 -41.14 85.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.263 -179.139 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.38 -49.7 76.79 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.277 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.84 -31.75 68.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.883 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -76.87 -45.26 28.91 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.901 0.382 . . . . 0.0 110.948 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.625 HG12 ' O ' ' A' ' 20' ' ' LYS . 23.4 pt -76.67 -30.5 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.462 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -91.21 -23.14 20.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.846 0.355 . . . . 0.0 110.158 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 63.86 97.63 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.858 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.16 87.76 1.0 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.692 -0.685 . . . . 0.0 113.04 173.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.83 101.87 8.77 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.991 0.424 . . . . 0.0 109.979 173.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 9.9 mp -94.52 138.75 22.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.78 176.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 22.5 Cg_exo -65.41 150.64 86.81 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.438 2.092 . . . . 0.0 111.716 177.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -69.8 -23.12 63.28 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.696 0.76 . . . . 0.0 109.786 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -96.2 129.13 43.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.6 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -69.84 126.5 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.755 -176.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.486 ' HD2' ' O ' ' A' ' 34' ' ' ARG . 3.2 ppt_? -76.89 143.02 70.22 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.173 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -62.27 -56.52 0.68 Allowed 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.555 2.17 . . . . 0.0 111.808 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 55.5 p -130.47 144.44 51.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.167 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.555 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -76.08 -48.81 3.4 Favored Pre-proline 0 CA--C 1.541 0.614 0 O-C-N 123.299 0.375 . . . . 0.0 111.648 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 82.3 Cg_endo -93.4 83.95 0.18 Allowed 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.397 2.065 . . . . 0.0 112.104 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.501 ' H ' HD12 ' A' ' 39' ' ' ILE . 2.9 mp -62.76 -47.94 90.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.413 -177.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.32 -62.82 1.39 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.423 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -62.39 -38.21 88.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.489 -175.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 t -70.66 -35.09 72.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.243 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -84.74 -43.33 14.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.326 . . . . 0.0 110.855 -174.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.48 -35.72 34.41 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.292 -178.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 t70 60.52 90.97 0.08 OUTLIER Pre-proline 0 C--O 1.236 0.366 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.096 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.5 156.43 64.05 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.589 2.193 . . . . 0.0 112.118 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.06 -0.91 10.77 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.348 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 59.7 mttp -79.47 108.6 9.11 Favored Pre-proline 0 CA--C 1.536 0.442 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 48' ' ' LYS . 37.6 Cg_endo -108.24 40.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 124.027 3.151 . . . . 0.0 114.433 -172.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -70.57 79.55 0.58 Allowed 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.158 0.504 . . . . 0.0 109.952 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.551 ' O ' ' HG3' ' A' ' 55' ' ' MET . 38.2 t -52.62 -54.3 35.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.882 -175.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.8 pp -62.16 -35.97 71.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.681 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 52' ' ' ILE . 60.2 mt -70.54 -28.14 64.7 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.65 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -84.0 -46.46 12.01 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -106.99 -18.17 13.98 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -169.31 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 52' ' ' ILE . 29.1 m -87.23 106.47 17.93 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 118.356 0.526 . . . . 0.0 110.63 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HB3' ' HD3' ' A' ' 60' ' ' LYS . 85.2 tttt -89.59 146.24 24.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.01 143.38 57.99 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.363 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' HD3' ' A' ' 110' ' ' ARG . . . 84.5 26.15 40.26 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 121.119 -0.563 . . . . 0.0 112.256 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.636 ' HE3' ' SD ' ' A' ' 108' ' ' MET . 59.0 mtpt -135.65 99.69 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.1 t -99.27 -30.32 12.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.675 0.274 . . . . 0.0 110.472 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -150.94 153.16 34.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.741 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -138.59 129.26 26.35 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 173.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.634 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 61.9 mtt -118.28 143.18 46.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.456 -176.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 124.51 52.4 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.745 HG21 HD13 ' A' ' 122' ' ' LEU . 43.3 t -116.3 113.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.081 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -77.08 108.45 10.17 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HB ' HG21 ' A' ' 80' ' ' ILE . 30.2 m -100.89 -45.74 11.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.157 -168.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 71' ' ' ASN . 55.9 p -92.02 -61.83 1.54 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.17 0.509 . . . . 0.0 110.477 -177.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.73 -10.31 75.14 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -173.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 69' ' ' SER . 14.4 p-10 -127.08 158.16 69.84 Favored Pre-proline 0 CA--C 1.536 0.439 0 C-N-CA 123.375 0.67 . . . . 0.0 109.617 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -63.39 -18.96 67.01 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.25 2.633 . . . . 0.0 113.616 -174.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.427 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 69.8 p -48.55 125.82 10.52 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.511 0.324 . . . . 0.0 111.686 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 19.8 mp0 -73.34 -20.13 60.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.146 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -63.03 -59.52 4.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.329 -172.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 9.0 mm-40 -51.21 -55.39 18.3 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.067 -177.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 t -64.27 -37.48 87.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.969 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.6 -55.99 27.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 110.557 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.69 -46.33 88.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.339 -174.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.579 HG21 ' HB ' ' A' ' 68' ' ' VAL . 11.0 tp -71.67 -42.01 71.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.317 -176.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 m -68.78 -34.38 75.45 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.747 0.308 . . . . 0.0 110.412 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.1 t -67.77 -39.99 84.06 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.74 -53.39 58.35 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.466 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.498 ' CZ2' ' HG3' ' A' ' 125' ' ' GLN . 26.6 m0 -65.09 -38.76 91.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 178.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -54.91 -39.93 69.3 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.659 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.21 -49.28 5.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.04 176.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 t -54.94 -49.79 70.47 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.822 0.449 . . . . 0.0 111.862 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.608 HD13 HG21 ' A' ' 95' ' ' VAL . 97.2 mt -61.59 -32.88 73.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.882 0.373 . . . . 0.0 110.864 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -88.72 -9.69 51.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -80.83 -44.72 18.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 173.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.57 -12.04 59.99 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.323 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.83 78.47 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.482 176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -124.68 130.59 52.7 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -81.9 91.08 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.343 0.592 . . . . 0.0 110.245 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.608 HG21 HD13 ' A' ' 88' ' ' LEU . 36.0 m -136.94 153.65 30.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.358 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.654 ' HB2' ' HB2' ' A' ' 108' ' ' MET . 14.9 mm100 -101.51 110.08 22.02 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.8 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -111.8 121.29 44.68 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -177.118 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 98.4 m-85 -136.03 142.25 44.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.461 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 tt -96.22 90.78 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.464 0.649 . . . . 0.0 110.196 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.27 128.74 76.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.587 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.44 101.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -171.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.1 p -55.03 -15.62 2.22 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -171.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -72.92 -29.04 62.82 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.213 0.53 . . . . 0.0 110.822 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.537 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -142.11 -175.54 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.253 0.549 . . . . 0.0 111.816 -170.438 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.54 152.21 45.36 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.09 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.4 tt -112.41 137.48 45.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.97 0.414 . . . . 0.0 111.007 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -127.76 106.91 9.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.335 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.654 ' HB2' ' HB2' ' A' ' 96' ' ' GLN . 68.3 mtm -95.64 114.94 26.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.6 mt -78.48 129.52 34.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.348 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 59' ' ' GLY . 21.8 mmt180 -74.48 -44.59 50.78 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 170.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -116.28 131.57 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.535 -1.211 . . . . 0.0 109.373 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.41 3.94 69.44 Favored Glycine 0 CA--C 1.517 0.2 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.464 -173.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.0 t -73.62 -28.28 61.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.16 0.48 . . . . 0.0 110.587 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -95.05 16.18 16.97 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.579 -177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' HG22 ' A' ' 118' ' ' ILE . . . -56.65 -59.26 5.26 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -173.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.02 -36.25 81.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.875 0.369 . . . . 0.0 111.167 -176.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -62.41 -45.15 94.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 15.0 tt -69.84 -35.31 64.39 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.136 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.166 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -52.98 -54.65 31.95 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.951 0.405 . . . . 0.0 110.157 174.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.577 ' HA ' HG12 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -60.25 -44.43 95.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.796 178.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -54.0 -40.64 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 0.0 110.86 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.745 HD13 HG21 ' A' ' 66' ' ' VAL . 80.6 mt -74.97 -44.09 50.31 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.17 -178.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 120' ' ' ASP . 7.1 p -79.12 -13.96 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.744 0.306 . . . . 0.0 111.762 -175.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.9 m -74.6 -4.51 37.55 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 122.245 -0.284 . . . . 0.0 111.345 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.498 ' HG3' ' CZ2' ' A' ' 84' ' ' TRP . 17.7 mm-40 -69.4 143.5 53.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 110.602 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.86 -22.11 61.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.75 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -55.79 -23.81 32.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.827 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.1 t 60.12 43.16 14.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.695 0.76 . . . . 0.0 109.177 -173.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -70.83 135.86 48.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.846 -177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 6.7 mm-40 -81.2 112.65 18.74 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.5 p -94.08 118.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.186 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.9 p -132.17 148.39 52.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.768 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.634 ' HG ' ' HG2' ' A' ' 64' ' ' MET . 5.4 mp -100.75 132.32 46.21 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.37 118.64 30.87 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 159.08 -162.55 32.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -80.79 -23.26 39.41 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.571 -179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' ' 137' ' ' MET . 0.3 OUTLIER -104.37 124.4 49.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.639 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.509 ' HD1' ' HB2' ' A' ' 133' ' ' LEU . 54.5 t80 -154.2 135.5 8.83 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.251 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.501 ' HD2' ' CD1' ' A' ' 138' ' ' TYR . 19.1 Cg_endo -58.0 140.86 95.44 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.93 2.42 . . . . 0.0 112.409 178.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 145.12 107.9 0.57 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.206 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.627 175.811 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.091 -0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 -53.1 61.7 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.242 0.544 . . . . 0.0 110.203 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.6 pt -88.36 48.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.797 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 4' ' ' ARG . 3.4 tmt_? -50.74 -43.97 58.3 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.955 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -59.69 -47.02 87.28 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.578 -178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -64.12 -46.1 85.68 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.144 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 11' ' ' MET . 95.3 m-20 -53.99 -65.23 0.61 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.196 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.646 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -50.42 -67.58 0.24 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.659 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.72 -70.43 0.09 Allowed 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.116 0.484 . . . . 0.0 111.155 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' O ' HD13 ' A' ' 14' ' ' LEU . 26.8 t70 -70.12 -58.02 4.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.143 -172.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.52 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 tpp -66.06 -35.94 81.89 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.919 -170.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -74.52 -33.02 62.69 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.556 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -61.95 -44.22 97.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.814 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 10' ' ' ASP . 11.2 mp -64.31 -52.86 56.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.2 mt -78.44 -6.05 54.2 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.812 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -52.6 -30.11 29.5 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 110.423 176.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.06 -43.26 77.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -78.42 -42.22 30.75 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.837 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -60.21 -53.32 59.14 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.269 0.557 . . . . 0.0 109.584 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 24' ' ' ILE . 24.3 ttmm -56.51 -43.72 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.215 177.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 27.8 t70 -51.63 -54.63 25.75 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.693 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.97 -37.96 84.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -69.33 -21.1 63.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.148 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 20' ' ' LYS . 76.3 mt -86.92 -37.53 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.0 109.917 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 20.8 mm-40 -61.96 -30.52 70.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.41 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.683 ' HG2' ' H ' ' A' ' 28' ' ' ASP . 41.6 tt0 -155.34 -95.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.564 173.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.69 17.83 36.01 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.176 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.683 ' H ' ' HG2' ' A' ' 26' ' ' GLU . 17.1 m-20 -94.06 151.86 19.21 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.53 0.332 . . . . 0.0 111.123 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mp -93.53 145.23 29.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.322 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.82 6.84 1.49 Allowed 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 122.713 2.276 . . . . 0.0 113.099 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -81.34 -17.46 49.06 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -178.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -118.48 137.64 53.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.094 0.473 . . . . 0.0 111.088 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -113.14 -179.75 3.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.297 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -70.98 148.74 94.65 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.531 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.45 -20.43 68.43 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.937 2.425 . . . . 0.0 112.84 -176.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 m -130.12 107.97 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -92.48 -50.92 0.28 Allowed Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.528 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 64.9 Cg_exo -51.58 102.92 0.06 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.496 2.13 . . . . 0.0 112.8 -177.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.02 -47.32 93.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.747 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HD13 ' A' ' 44' ' ' LEU . 8.9 p-10 -58.92 -45.13 91.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 56.7 m-85 -59.88 -47.03 87.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.454 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.8 t -61.92 -28.88 69.84 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -84.39 -28.42 26.96 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.929 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 40' ' ' ASP . 10.8 mp -93.51 -8.25 41.97 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.501 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.451 ' O ' ' HE2' ' A' ' 48' ' ' LYS . 61.1 m-20 63.9 91.78 0.07 OUTLIER Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 122.968 0.507 . . . . 0.0 111.518 177.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -94.64 -175.02 0.37 Allowed 'Trans proline' 0 CA--C 1.533 0.473 0 C-N-CA 123.254 2.636 . . . . 0.0 112.197 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.61 5.64 60.04 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 121.182 -0.532 . . . . 0.0 113.398 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 45' ' ' ASP . 4.2 mptp? -70.33 128.85 90.99 Favored Pre-proline 0 N--CA 1.464 0.26 0 CA-C-N 116.971 0.386 . . . . 0.0 110.053 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.475 ' O ' HG13 ' A' ' 52' ' ' ILE . 47.5 Cg_exo -57.86 -5.14 1.74 Allowed 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.341 2.694 . . . . 0.0 113.77 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -73.11 -25.88 61.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.2 p -53.47 -54.9 30.44 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.861 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 49' ' ' PRO . 2.8 pp -62.58 -31.37 51.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.166 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 53' ' ' LEU . 4.6 tt -67.69 -40.19 84.38 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 54' ' ' LYS . 4.5 ttmp? -75.38 -28.52 59.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.672 177.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 55.0 ttp -86.92 -21.64 26.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.886 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.3 t -78.48 136.78 37.68 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.2 pttt -150.41 156.34 41.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.654 -173.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.598 ' HD3' ' H ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -69.83 161.31 30.13 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.607 -179.45 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.59 66.77 0.59 Allowed Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -175.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.09 116.8 23.67 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.5 m -129.73 30.19 4.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.566 0.698 . . . . 0.0 109.715 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.4 HD11 HD12 ' A' ' 109' ' ' LEU . 4.3 pp -79.55 152.08 30.33 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.694 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.627 ' N ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -133.52 145.09 49.82 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.563 0.697 . . . . 0.0 112.147 -171.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.482 ' HG2' HD23 ' A' ' 133' ' ' LEU . 63.0 mtt -117.25 124.73 49.77 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.183 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 106' ' ' ILE . 75.8 m-85 -87.09 114.1 23.4 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 173.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 66' ' ' VAL . 29.8 m -111.42 107.54 23.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.191 0.52 . . . . 0.0 111.322 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 130' ' ' GLU . 27.1 m -77.09 106.91 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.691 HG11 HG21 ' A' ' 80' ' ' ILE . 24.5 t -102.95 -60.5 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.277 0.561 . . . . 0.0 111.454 -172.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.499 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 19.3 m -75.25 -57.28 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.71 -171.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.36 64.02 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 121.11 -0.567 . . . . 0.0 111.884 -174.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.449 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 1.8 p-10 -109.98 160.83 26.67 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.875 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 81.6 Cg_endo -78.3 -24.17 8.15 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.593 2.195 . . . . 0.0 112.95 -177.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.423 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 15.7 p -65.76 100.31 0.53 Allowed 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.385 0.612 . . . . 0.0 110.482 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 77' ' ' THR . 42.9 tt0 -63.12 -26.1 68.66 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.6 -172.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 19.4 ptmt -42.91 -34.4 0.96 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.822 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -69.37 -52.59 25.61 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.514 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.3 t -64.41 -32.1 73.58 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.855 0.36 . . . . 0.0 110.123 -178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -59.57 -52.32 66.06 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 83' ' ' LEU . 75.5 mm-40 -53.06 -62.46 1.64 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.161 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.691 HG21 HG11 ' A' ' 68' ' ' VAL . 10.3 tp -59.74 -38.44 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.685 -172.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 79.5 m -64.67 -40.56 95.63 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.6 m -63.53 -47.71 80.51 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.671 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 79' ' ' GLU . 10.9 mp -60.89 -42.13 97.4 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.451 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 6.5 m0 -62.82 -57.18 11.77 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.309 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.71 -37.07 70.43 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.373 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.84 -32.77 78.33 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.358 176.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.443 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 23.3 t -86.59 -21.44 26.83 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.031 0.443 . . . . 0.0 111.156 -177.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 95.7 mt -89.54 -47.98 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.585 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.41 -23.19 64.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.701 -175.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 32.8 p30 -69.74 -22.86 63.34 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.299 0.571 . . . . 0.0 109.818 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.07 9.63 38.8 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.115 174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER 72.58 19.15 4.19 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.663 177.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.405 ' HB2' ' HB3' ' A' ' 88' ' ' LEU . 9.0 m-30 -78.15 95.58 4.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.817 0.341 . . . . 0.0 110.447 177.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.34 89.57 5.55 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.357 0.599 . . . . 0.0 109.961 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.9 m -122.1 144.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.904 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -101.36 120.1 39.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 -177.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.704 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -118.27 131.34 56.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.966 -174.61 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -126.65 142.58 51.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.409 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.3 tt -95.35 99.66 9.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.508 0.671 . . . . 0.0 110.633 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 100' ' ' VAL . 17.1 m -128.62 111.27 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.358 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.69 103.99 1.86 Allowed Glycine 0 C--O 1.225 -0.466 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.006 -172.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.7 m -53.95 -13.85 0.87 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.499 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 8.2 p-10 -99.24 -3.53 34.02 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.811 0.338 . . . . 0.0 111.343 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' HB3' ' HA ' ' A' ' 67' ' ' THR . 17.5 ptp180 -151.21 178.28 9.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.305 0.574 . . . . 0.0 111.968 -170.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.17 162.51 36.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.807 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.419 HD12 ' CE2' ' A' ' 65' ' ' PHE . 14.7 tt -123.33 127.57 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 178.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -112.21 106.66 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.094 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -78.34 122.26 25.53 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 168.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.4 HD12 HD11 ' A' ' 62' ' ' LEU . 54.5 mt -95.63 103.4 15.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.8 -39.64 56.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.952 -173.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -108.35 111.58 23.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.186 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.81 -3.79 90.42 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.691 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.4 m -54.17 -25.54 23.07 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.677 0.275 . . . . 0.0 111.129 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -130.91 28.69 4.8 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.829 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.11 -57.71 11.03 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.401 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -67.52 -26.55 66.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.088 -179.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.43 -47.34 70.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.733 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.8 tt -70.87 -30.12 40.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 123' ' ' VAL . 1.1 tmmt? -60.17 -46.53 89.38 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.646 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -63.32 -38.14 89.98 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.117 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.65 -42.05 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.92 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -42.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 119' ' ' LYS . 84.3 t -67.41 -31.59 53.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-O 121.215 0.531 . . . . 0.0 110.493 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.7 t -74.24 -22.67 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.614 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.499 ' NE2' HD11 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -63.78 126.72 28.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.106 0.479 . . . . 0.0 110.738 -177.584 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.63 -25.8 63.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.513 -177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.563 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 4.2 mmp_? -100.33 19.41 16.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.254 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 54.1 t -92.51 122.14 34.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.804 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' THR . . . -94.53 -55.46 3.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 111.044 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.54 ' HB2' ' HB ' ' A' ' 67' ' ' THR . 37.6 mt-10 -140.6 138.09 34.16 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.615 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 61.5 t -126.91 125.87 67.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.4 m -128.29 109.95 11.94 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.221 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 64' ' ' MET . 3.3 tm? -86.55 116.21 24.53 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 175.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -86.14 93.82 9.12 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.764 -176.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 151.98 142.66 3.54 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.012 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -107.6 18.97 20.81 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.527 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.596 ' HG2' ' HD1' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -77.47 -16.42 58.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.557 179.451 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.596 ' HD1' ' HG2' ' A' ' 137' ' ' MET . 16.0 m-85 -120.43 -56.82 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.452 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.495 ' HD2' ' H ' ' A' ' 138' ' ' TYR . 86.3 Cg_endo -84.6 172.01 9.38 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 121.969 1.779 . . . . 0.0 112.273 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 96.81 -146.45 18.29 Favored Glycine 0 C--N 1.33 0.208 0 C-N-CA 121.249 -0.5 . . . . 0.0 111.908 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.108 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.828 -0.509 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.86 -23.48 66.3 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.99 0.424 . . . . 0.0 111.227 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.2 tt -60.87 -15.91 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.417 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -52.88 -26.76 15.8 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.645 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -51.67 -51.87 52.45 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.356 -176.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 10' ' ' ASP . 0.1 OUTLIER -76.31 -35.34 58.87 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.896 -177.552 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 11' ' ' MET . 42.5 m-80 -54.84 -60.99 2.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -57.09 -62.24 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.671 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.54 -63.28 1.22 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 120.879 0.371 . . . . 0.0 111.847 -174.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 6' ' ' TYR . 1.8 m-20 -66.54 -52.78 41.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.873 -174.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.454 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 46.1 ttm -65.05 -32.06 73.59 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.782 -172.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.36 67.05 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.838 0.351 . . . . 0.0 110.155 174.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' C ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.18 -34.26 66.04 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.196 179.401 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 10' ' ' ASP . 10.4 mp -87.01 -38.52 16.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.613 177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -121.59 35.87 4.77 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -170.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.2 -8.64 1.68 Allowed 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.379 -0.201 . . . . 0.0 111.38 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' NE2' ' H ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -52.06 -34.49 43.75 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 176.215 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -77.26 -42.96 35.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.481 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -69.51 -37.47 77.17 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.281 0.563 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.37 -47.47 79.15 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.733 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.18 -53.19 60.9 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.43 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -57.83 -47.5 82.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.43 -47.12 76.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 111.11 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.7 mt -75.53 -53.19 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.529 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -64.22 -48.28 76.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.688 -174.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -69.57 -41.07 76.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 110.264 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.61 23.65 72.26 Favored Glycine 0 C--N 1.334 0.417 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.799 -178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -106.2 124.74 50.06 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.98 157.19 35.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.261 -178.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.11 129.21 30.04 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.631 2.221 . . . . 0.0 112.177 176.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -18.78 60.46 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.194 -178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -76.23 166.16 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.278 173.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.796 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -75.3 126.99 32.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.123 -173.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.06 104.95 2.51 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 176.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -57.16 -57.01 1.46 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.225 2.617 . . . . 0.0 113.878 -169.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p -120.27 115.65 24.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.911 0.386 . . . . 0.0 110.933 -175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.16 -50.59 0.54 Allowed Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.34 28.64 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 122.456 2.104 . . . . 0.0 113.37 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.1 pt -62.19 -28.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.752 0.311 . . . . 0.0 110.729 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -68.16 -45.18 74.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.05 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -62.17 -34.27 76.1 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.105 0.479 . . . . 0.0 109.809 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -73.26 -30.67 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.264 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -65.55 -47.3 76.33 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.616 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.56 -45.6 75.14 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.874 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 t70 61.17 92.31 0.07 OUTLIER Pre-proline 0 N--CA 1.467 0.399 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.229 -176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -41.08 -37.73 2.8 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.593 2.862 . . . . 0.0 113.74 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.16 -41.57 2.64 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 121.241 -0.504 . . . . 0.0 112.598 178.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -73.31 139.87 79.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 174.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -67.78 169.29 16.45 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.544 2.162 . . . . 0.0 112.332 -176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -73.06 67.83 0.91 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.206 0.527 . . . . 0.0 110.72 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.1 t -57.5 -34.89 69.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.277 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.5 pt -61.02 -42.32 92.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.715 177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.0 tp -68.06 -36.41 79.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.031 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 54' ' ' LYS . 1.7 tmmm? -65.21 -41.11 94.8 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.5 ttp -75.97 -21.9 56.46 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.226 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.3 m -101.07 114.2 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 111.22 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 mttp -88.74 108.61 19.58 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -101.5 162.41 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.86 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.71 -1.64 9.36 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.388 -0.434 . . . . 0.0 112.24 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -78.65 102.56 8.07 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 171.542 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.1 p -86.62 -23.64 25.64 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -165.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -109.33 101.7 10.67 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -174.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.499 ' N ' ' SD ' ' A' ' 63' ' ' MET . 1.1 pmm? -107.73 149.91 27.59 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.493 0.663 . . . . 0.0 110.983 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.1 mtt -129.38 153.99 47.35 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.327 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -113.57 106.85 15.03 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.527 HG13 HG22 ' A' ' 131' ' ' VAL . 28.7 t -88.38 104.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.75 -176.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.8 p -76.81 103.6 6.86 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.702 HG11 HG21 ' A' ' 80' ' ' ILE . 24.7 t -101.36 -62.53 2.0 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.568 -172.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.0 p -92.57 -61.5 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.266 -174.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 84.73 9.21 81.57 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.63 ' HB2' ' HD2' ' A' ' 72' ' ' PRO . 1.8 p-10 -126.81 163.24 42.43 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 123.219 0.608 . . . . 0.0 109.663 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.63 ' HD2' ' HB2' ' A' ' 71' ' ' ASN . 60.0 Cg_endo -70.19 -26.2 25.81 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.582 2.188 . . . . 0.0 114.015 -168.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.473 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 4.5 p -62.81 90.16 0.03 OUTLIER 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.37 0.605 . . . . 0.0 111.0 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.45 -21.33 66.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.186 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -54.19 -48.29 71.15 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.5 -178.286 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.33 -45.62 92.79 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.981 -177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.8 m -64.01 -39.36 93.94 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -48.58 74.61 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.098 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -56.85 -54.39 46.98 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.855 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.702 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -62.42 -36.96 77.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.789 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 95.0 m -69.32 -30.04 68.01 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.693 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.5 m -68.84 -39.21 80.08 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.99 0.424 . . . . 0.0 109.912 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.74 -43.68 95.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.155 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.42 ' HE1' ' NE2' ' A' ' 125' ' ' GLN . 34.6 m0 -64.84 -37.98 89.43 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.501 176.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.512 ' HG2' HH11 ' A' ' 97' ' ' ARG . 0.6 OUTLIER -54.62 -56.43 19.12 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.6 -55.5 30.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.231 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -55.15 -52.92 61.75 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.423 0.289 . . . . 0.0 111.703 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.11 -47.5 85.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.646 0.26 . . . . 0.0 111.147 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -67.09 -29.32 69.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.723 0.297 . . . . 0.0 110.612 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 90' ' ' ASN . 0.9 OUTLIER -73.59 -19.54 60.85 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.063 0.458 . . . . 0.0 109.81 174.421 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.03 13.88 19.45 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.606 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 73.49 16.09 4.07 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.037 176.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -75.73 121.56 22.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.723 0.296 . . . . 0.0 110.285 174.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -98.96 38.48 1.38 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.679 0.752 . . . . 0.0 109.481 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.3 m -87.06 170.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.764 -176.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.628 ' HB3' ' HB2' ' A' ' 108' ' ' MET . 6.7 tp-100 -117.17 153.2 33.25 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -154.39 143.48 21.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.516 0.198 . . . . 0.0 110.899 179.335 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -141.56 150.07 41.61 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 tt -101.08 107.71 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.047 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 100' ' ' VAL . 4.8 p -145.65 106.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.53 98.79 1.28 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -170.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.0 m -47.25 -30.48 3.07 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.69 -44.66 85.97 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.884 0.374 . . . . 0.0 111.777 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 ptp85 -134.85 137.61 43.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.145 -167.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.18 130.02 46.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 171.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.9 tt -93.43 119.79 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 110.972 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -111.13 118.23 35.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.384 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.628 ' HB2' ' HB3' ' A' ' 96' ' ' GLN . 64.0 mtt -94.7 106.52 18.5 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.006 178.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 118' ' ' ILE . 35.9 mt -93.69 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.102 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -63.84 -52.33 60.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.237 0.541 . . . . 0.0 110.453 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -164.13 -174.69 3.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.623 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -82.18 44.7 3.21 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.741 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 p -86.04 -70.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.89 23.5 12.76 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.661 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.24 -47.7 71.93 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.641 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -30.0 67.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.558 -178.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.61 -51.93 30.59 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.519 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.9 tt -65.56 -41.16 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.343 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.555 ' HG3' ' HB ' ' A' ' 131' ' ' VAL . 60.8 tttp -56.82 -45.14 82.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 110.037 176.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.14 -54.1 50.64 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.815 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -51.78 -49.14 63.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.456 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 87.6 mt -65.34 -37.6 87.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.236 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 119' ' ' LYS . 94.8 t -78.04 -22.03 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 110.808 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.7 m -70.36 -0.31 7.95 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.593 ' NE2' HD11 ' A' ' 80' ' ' ILE . 13.4 mm-40 -55.67 139.41 44.85 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.027 0.442 . . . . 0.0 110.701 176.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.64 -34.73 78.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.702 -174.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -81.64 4.95 19.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.08 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.0 t 70.27 155.51 0.14 Allowed 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.129 0.572 . . . . 0.0 111.344 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -170.85 -173.82 1.43 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.246 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.15 144.94 19.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.867 0.365 . . . . 0.0 110.244 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.555 ' HB ' ' HG3' ' A' ' 119' ' ' LYS . 43.2 t -121.87 110.25 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.871 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 71.1 p -95.28 147.13 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 24.2 mt -93.56 141.31 28.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.5 75.52 4.05 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 175.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.27 -144.14 30.4 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.39 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.522 ' HB3' ' SD ' ' A' ' 137' ' ' MET . 2.6 mp0 60.39 -167.14 0.18 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.991 0.424 . . . . 0.0 111.309 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.522 ' SD ' ' HB3' ' A' ' 136' ' ' GLN . 0.0 OUTLIER -66.85 99.99 0.68 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.344 0.592 . . . . 0.0 110.759 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -101.52 138.06 19.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.11 -164.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.675 2.25 . . . . 0.0 112.126 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -65.87 -42.52 94.93 Favored Glycine 0 C--N 1.335 0.474 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 54.6 tttm . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.387 175.637 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.63 113.93 6.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.881 0.372 . . . . 0.0 110.687 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 4' ' ' ARG . 2.7 pp -83.3 -14.0 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.294 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.431 ' N ' HD12 ' A' ' 3' ' ' ILE . 72.4 ttt180 -64.32 -37.3 87.03 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.554 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -50.02 -49.39 50.99 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.759 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -72.77 -41.0 65.5 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.148 -177.324 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' A' ' 11' ' ' MET . 34.5 m-80 -55.66 -63.36 1.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -47.83 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.166 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.64 -55.38 33.99 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.7 t70 -74.11 -45.46 48.9 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.536 -169.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.552 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 49.1 ttm -72.18 -38.68 69.04 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.579 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.8 95.48 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.636 -0.425 . . . . 0.0 109.963 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.0 ttp-105 -63.0 -35.52 80.49 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.06 -52.37 36.01 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.7 -10.48 59.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.264 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -50.37 -46.19 55.82 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.087 0.47 . . . . 0.0 110.204 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.61 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 49.4 mt-30 -59.78 -52.86 63.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.408 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -56.77 -41.32 77.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.25 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.15 -60.23 3.0 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.94 -176.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HE3' ' HA ' ' A' ' 17' ' ' GLN . 22.3 pttp -62.13 -45.16 94.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.086 -175.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.11 -41.54 97.22 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -58.53 -45.37 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.4 -50.08 66.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.293 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.6 mt -61.82 -48.24 89.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.412 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.31 -42.45 79.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.628 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 54.88 99.77 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.121 0.486 . . . . 0.0 112.014 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.4 90.58 1.29 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.492 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -79.48 96.41 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD12 ' HD2' ' A' ' 30' ' ' PRO . 59.7 tp -141.46 111.72 6.46 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.87 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD2' HD12 ' A' ' 29' ' ' LEU . 55.7 Cg_endo -69.85 117.6 5.18 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.35 2.033 . . . . 0.0 112.02 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -78.83 -26.56 44.2 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.274 0.559 . . . . 0.0 110.562 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -118.57 132.87 56.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.034 -175.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 60.2 tttp -114.48 164.95 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.06 176.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.522 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -75.85 108.58 6.2 Favored Pre-proline 0 CA--C 1.536 0.418 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.457 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.32 -32.36 95.88 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.709 2.273 . . . . 0.0 112.812 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -69.43 111.87 5.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.79 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -64.66 -51.63 57.28 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.743 176.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 93.0 Cg_endo -80.1 89.86 1.29 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.861 1.707 . . . . 0.0 111.141 175.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.02 -28.14 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.361 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.95 -42.99 63.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.442 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' HD1' ' HB2' ' A' ' 38' ' ' PRO . 82.6 m-85 -65.38 -32.38 73.99 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.949 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -76.08 -38.22 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.115 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -67.08 -46.46 74.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.727 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -80.56 -39.55 27.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.458 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.0 t70 55.35 87.26 0.15 Allowed Pre-proline 0 N--CA 1.469 0.48 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.227 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.66 -173.29 0.55 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.217 2.611 . . . . 0.0 113.808 -169.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.73 -11.12 41.89 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.156 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 9.8 mptt -101.27 124.01 42.78 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -178.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -84.93 114.71 1.67 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.785 2.323 . . . . 0.0 112.394 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 58.72 29.57 18.81 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.551 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.558 ' HB3' ' HB3' ' A' ' 48' ' ' LYS . 23.0 p -57.97 -39.0 77.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.228 0.537 . . . . 0.0 110.333 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.835 HG13 HD12 ' A' ' 53' ' ' LEU . 19.3 pt -61.49 -39.1 81.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.562 176.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.835 HD12 HG13 ' A' ' 52' ' ' ILE . 8.5 mp -70.23 -26.45 63.86 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.149 0.5 . . . . 0.0 110.057 176.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -74.02 -33.53 63.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.644 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.416 ' C ' ' SD ' ' A' ' 55' ' ' MET . 0.0 OUTLIER -88.13 -21.35 24.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 121.181 -0.207 . . . . 0.0 111.274 179.663 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 52' ' ' ILE . 22.7 p -70.78 115.78 10.32 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -92.41 133.6 35.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.656 -175.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -75.79 160.1 30.34 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.642 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.05 56.11 0.96 Allowed Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -171.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -79.61 99.73 7.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -175.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.0 p -78.72 30.61 0.19 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 109' ' ' LEU . 1.5 tm? -92.7 101.76 14.17 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.4 ptp -135.24 154.47 51.56 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.238 0.542 . . . . 0.0 111.193 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.57 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 53.6 mtt -128.94 124.5 35.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.173 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -95.01 104.54 16.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.64 HG21 HD13 ' A' ' 122' ' ' LEU . 16.7 t -100.53 108.44 23.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.72 -176.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.6 t -79.34 101.1 7.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.292 0.568 . . . . 0.0 109.918 178.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.593 HG11 HG21 ' A' ' 80' ' ' ILE . 22.5 t -103.17 -44.36 9.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.542 -171.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.645 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 33.1 t -75.24 -71.0 0.39 Allowed 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -167.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.37 10.11 40.46 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.752 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 35.1 t30 -125.88 127.79 24.69 Favored Pre-proline 0 C--O 1.234 0.261 0 C-N-CA 123.243 0.617 . . . . 0.0 109.799 -176.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 71' ' ' ASN . 40.8 Cg_exo -58.27 -23.5 62.85 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.85 2.367 . . . . 0.0 112.93 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -84.44 118.24 24.15 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.911 0.386 . . . . 0.0 110.235 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -65.6 -10.48 35.91 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 15.3 ptmm? -44.8 -44.82 9.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.661 0.267 . . . . 0.0 111.681 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.62 -51.51 59.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.618 -176.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.503 ' HA ' HG22 ' A' ' 80' ' ' ILE . 15.3 t -68.19 -33.76 75.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.807 0.337 . . . . 0.0 110.72 -176.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.74 -54.86 24.83 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 35.1 mm-40 -55.61 -53.3 58.13 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.965 178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.593 HG21 HG11 ' A' ' 68' ' ' VAL . 9.9 tp -67.75 -42.72 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.674 -172.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 HE21 ' A' ' 85' ' ' GLN . 97.3 m -67.77 -38.19 83.08 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.397 0.141 . . . . 0.0 110.994 -177.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.4 p -68.54 -49.41 59.76 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.741 0.305 . . . . 0.0 110.499 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.37 -44.78 89.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.485 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 5.6 m0 -61.45 -59.08 5.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.41 HE21 HG22 ' A' ' 81' ' ' THR . 11.0 pt20 -56.71 -36.72 70.0 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.704 0.288 . . . . 0.0 110.626 -176.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.45 -49.79 58.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.576 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.9 t -57.56 -43.11 84.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.889 0.476 . . . . 0.0 110.968 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 82.5 mt -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.581 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -77.32 -20.14 55.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -33.72 73.85 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -84.1 -2.54 56.93 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.544 174.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.9 OUTLIER 73.73 20.64 2.94 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.312 174.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -87.27 98.33 11.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -68.52 85.36 0.29 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.224 0.535 . . . . 0.0 111.079 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.22 160.03 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.892 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.68 145.23 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -148.61 139.75 23.18 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -137.03 156.56 48.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.432 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.1 tt -122.95 90.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.632 0.729 . . . . 0.0 110.391 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 100' ' ' VAL . 16.6 m -113.64 99.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.561 177.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.433 ' HA3' ' NH1' ' A' ' 104' ' ' ARG . . . 98.53 102.16 2.27 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -172.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.8 t -49.83 -18.08 0.45 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -171.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.645 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 23.0 t70 -73.29 -43.53 60.8 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.485 ' HD3' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -129.92 140.51 50.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.227 0.537 . . . . 0.0 112.139 -172.087 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.44 137.22 40.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.248 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.5 tt -106.71 118.28 54.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.08 0.467 . . . . 0.0 110.849 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -103.92 123.09 46.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.081 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 55.4 ttp -103.23 120.03 39.98 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.502 ' HB2' HD12 ' A' ' 62' ' ' LEU . 2.3 mm? -100.96 132.45 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.622 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -74.92 -28.01 60.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.476 0.655 . . . . 0.0 109.312 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -121.14 148.9 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.525 -176.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -107.61 -5.75 33.66 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.718 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.7 t -73.25 -40.4 64.67 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.812 0.306 . . . . 0.0 110.243 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.403 ' O ' HG22 ' A' ' 118' ' ' ILE . 5.2 t80 -83.39 -2.23 55.3 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.05 71.62 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -173.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.05 -41.53 67.35 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.649 0.262 . . . . 0.0 111.14 -177.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -49.46 75.31 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 8.7 tp -67.36 -35.67 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.426 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -54.41 -53.59 52.03 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.07 0.462 . . . . 0.0 110.123 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.57 ' HA ' HG12 ' A' ' 123' ' ' VAL . 2.9 m-20 -64.5 -36.49 84.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.675 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.48 -48.74 79.79 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.467 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.64 HD13 HG21 ' A' ' 66' ' ' VAL . 90.5 mt -65.46 -48.92 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.325 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 120' ' ' ASP . 12.3 p -70.36 -24.34 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 120.724 0.297 . . . . 0.0 111.267 -176.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -75.16 -3.11 30.97 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.096 -178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.502 ' NE2' HD11 ' A' ' 80' ' ' ILE . 6.6 tp-100 -60.56 147.68 40.73 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.364 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.94 -20.89 60.0 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -174.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -79.24 -16.42 56.52 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.438 0.161 . . . . 0.0 111.148 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 49.2 t 58.57 87.28 0.08 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.209 0.528 . . . . 0.0 110.14 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -110.2 135.96 50.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.844 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.76 118.35 22.8 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.981 0.419 . . . . 0.0 110.097 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.447 HG23 HG22 ' A' ' 66' ' ' VAL . 2.7 p -95.93 97.85 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.495 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.9 m -89.55 99.39 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.972 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.57 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 3.9 pp -90.85 153.78 19.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.99 87.53 0.14 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.952 0.406 . . . . 0.0 110.337 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -96.51 71.03 0.83 Allowed Glycine 0 C--N 1.33 0.203 0 CA-C-N 116.18 -0.463 . . . . 0.0 112.343 -177.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -72.06 -11.49 60.78 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -131.29 -91.82 0.42 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -175.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.567 ' HB3' ' HD3' ' A' ' 139' ' ' PRO . 72.9 t80 -64.98 -58.51 12.55 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -172.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 138' ' ' TYR . 4.7 Cg_exo -80.44 23.77 0.69 Allowed 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.477 2.118 . . . . 0.0 113.358 -170.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -160.36 119.88 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.073 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.741 172.847 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -168.74 159.66 9.96 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 122.894 0.478 . . . . 0.0 109.766 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 3' ' ' ILE . 3.2 mp -96.93 80.31 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -69.3 -30.96 69.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -48.82 -47.38 42.42 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.349 0.406 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.429 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -57.93 -48.19 80.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.246 175.323 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -60.23 -50.74 72.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 -177.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -52.15 -64.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.384 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -55.72 20.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.703 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.53 -47.92 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.622 -173.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.432 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 16.6 mmt -65.87 -45.3 82.62 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.222 -178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.61 87.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.27 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.708 ' HA ' ' HG2' ' A' ' 16' ' ' GLU . 85.2 mtt180 -79.28 -12.24 59.95 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.163 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -71.99 -52.67 15.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 170.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.551 ' HA ' ' NE1' ' A' ' 18' ' ' TRP . 10.3 mp -64.06 -53.61 47.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.805 -177.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.708 ' HG2' ' HA ' ' A' ' 13' ' ' ARG . 10.4 pt-20 -61.28 -21.54 64.02 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 17' ' ' GLN . 14.4 mm-40 -77.76 -55.74 5.08 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 121.279 -0.168 . . . . 0.0 111.365 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 15' ' ' LEU . 55.2 p-90 -69.27 -22.31 63.83 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.749 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -66.35 -52.62 45.16 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.655 172.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -54.24 -45.37 72.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 109.998 177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -56.42 -49.97 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.393 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.71 -18.82 62.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.764 -178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -78.48 -35.39 46.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.984 0.421 . . . . 0.0 109.908 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pp -91.25 -15.32 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.817 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.05 -59.27 2.24 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.361 0.601 . . . . 0.0 109.983 177.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -99.65 -80.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.941 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.82 59.51 6.07 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.95 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.92 149.58 29.36 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.662 -177.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 29' ' ' LEU . 6.8 mp -92.72 120.79 67.06 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.59 76.98 0.53 Allowed 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.453 2.102 . . . . 0.0 111.752 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -94.12 -15.8 24.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.701 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -69.85 108.15 3.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.616 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -91.92 -177.9 4.86 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.381 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 40' ' ' ASP . 37.2 ttt85 -95.99 115.36 65.5 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.078 -175.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.86 -36.37 50.85 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.627 2.218 . . . . 0.0 112.566 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 m -112.57 108.44 17.53 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.088 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -111.18 -60.3 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.323 175.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 34.7 Cg_exo -60.14 -61.65 0.19 Allowed 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.923 1.748 . . . . 0.0 112.509 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.552 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.0 mp -58.97 -37.02 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 34' ' ' ARG . 14.8 t70 -54.18 -71.27 0.08 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.878 -177.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.458 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . 87.3 m-85 -56.15 -45.98 79.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.217 -177.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.8 m -60.04 -32.34 70.82 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -177.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -76.87 -39.9 49.43 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 110.213 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.26 -15.36 60.53 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.0 t0 64.05 87.45 0.13 Allowed Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HG3' ' HB3' ' A' ' 41' ' ' PHE . 72.8 Cg_endo -85.84 115.03 1.45 Allowed 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.329 2.686 . . . . 0.0 113.687 -165.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.64 -13.67 6.41 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.757 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 51' ' ' SER . 24.0 tttm -101.57 137.72 19.68 Favored Pre-proline 0 C--N 1.322 -0.613 0 C-N-CA 123.164 0.586 . . . . 0.0 109.572 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' SER . 74.5 Cg_exo -52.08 148.68 23.34 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.471 2.114 . . . . 0.0 111.645 177.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.558 ' HB2' ' HB3' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -58.52 73.71 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.399 0.619 . . . . 0.0 112.608 -176.552 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' PRO . 45.1 t -76.27 -42.33 45.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.287 -177.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.658 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.6 pp -64.08 -40.9 90.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.005 0.431 . . . . 0.0 110.338 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 52' ' ' ILE . 6.7 tt -66.29 -41.55 89.63 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -65.75 -32.65 74.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.609 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -78.97 -23.2 44.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.403 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.9 m -68.71 127.61 33.68 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' HA ' ' HE2' ' A' ' 57' ' ' LYS . 11.1 mmpt? -89.39 123.2 33.33 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' HB2' ' HD3' ' A' ' 110' ' ' ARG . 16.6 ptpt -72.15 130.28 40.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.038 0.447 . . . . 0.0 110.483 -176.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.41 46.58 0.32 Allowed Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.504 ' HZ2' ' HB2' ' A' ' 60' ' ' LYS . 4.1 ttmp? -79.61 157.99 27.18 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.5 m -76.76 30.35 0.13 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -173.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 tp -99.4 118.77 36.76 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.951 -0.468 . . . . 0.0 109.912 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.8 ptp -140.04 139.65 36.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.245 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.456 ' HG2' ' HB3' ' A' ' 133' ' ' LEU . 62.6 mtt -116.54 118.44 32.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -87.86 102.58 14.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.599 HG21 HD13 ' A' ' 122' ' ' LEU . 21.3 t -103.85 102.89 14.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.67 0.271 . . . . 0.0 110.822 -177.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.657 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 35.1 m -73.23 98.88 2.72 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.983 0.42 . . . . 0.0 109.98 177.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' HB ' HD13 ' A' ' 80' ' ' ILE . 28.0 m -102.41 -37.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.522 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.746 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 32.8 t -66.05 -71.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -168.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.39 10.2 52.42 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.497 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 73' ' ' THR . 6.4 t30 -126.29 132.74 24.43 Favored Pre-proline 0 C--O 1.234 0.278 0 C-N-CA 123.224 0.609 . . . . 0.0 109.507 -177.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.23 -39.75 87.81 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.971 2.447 . . . . 0.0 113.125 -176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.8 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -75.6 133.41 40.91 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.729 0.299 . . . . 0.0 111.077 -177.284 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.62 -19.73 62.58 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.979 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.8 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 56.9 pttt -47.17 -54.92 9.49 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.489 ' HG2' ' HG3' ' A' ' 75' ' ' LYS . 6.5 mm-40 -64.02 -50.86 66.81 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 111.243 -171.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.746 ' HB ' ' HB2' ' A' ' 69' ' ' SER . 12.7 t -61.48 -36.72 81.24 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.416 -178.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.23 -43.02 92.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 25.1 mm-40 -57.98 -62.12 2.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.706 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.439 HD13 ' HB ' ' A' ' 68' ' ' VAL . 15.2 tt -62.38 -40.38 87.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -174.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -66.89 -36.07 81.45 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.833 -0.167 . . . . 0.0 111.282 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.9 m -69.8 -40.0 76.24 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.883 0.373 . . . . 0.0 110.484 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.2 -50.13 74.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.519 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 19.4 m0 -62.11 -45.02 95.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.791 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.424 ' HG3' ' HG3' ' A' ' 97' ' ' ARG . 51.9 tt0 -50.6 -48.07 57.93 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.856 0.36 . . . . 0.0 110.346 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.68 -52.98 44.71 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.139 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -62.69 -33.09 74.37 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -174.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 79.7 mt -66.46 -47.7 72.3 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.891 0.377 . . . . 0.0 110.206 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -70.13 -26.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.546 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -27.76 65.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.18 0.514 . . . . 0.0 109.946 173.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.27 6.35 43.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.392 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 65.23 20.88 12.01 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.089 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -70.17 96.84 1.13 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -72.05 85.25 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.962 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.45 169.12 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.639 -174.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.826 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 14.8 mm100 -105.65 100.89 10.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.186 173.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.505 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -91.2 120.57 32.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.283 -178.649 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.438 ' HE2' ' HB3' ' A' ' 96' ' ' GLN . 85.5 m-85 -141.86 161.26 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.862 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.9 tt -127.58 104.35 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.205 0.526 . . . . 0.0 110.731 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 100' ' ' VAL . 5.9 p -114.8 106.57 20.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.19 102.64 1.86 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -168.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.4 m -44.06 -34.38 1.74 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -170.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.74 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 39.7 m-20 -76.0 -23.58 55.26 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -175.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 38.7 ptt180 -124.03 132.36 53.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 0.0 112.138 -172.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -98.39 127.63 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 64' ' ' MET . 5.5 tt -99.49 114.36 37.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.305 0.574 . . . . 0.0 110.83 -178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -98.29 102.59 14.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.774 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.826 ' HB3' ' HB2' ' A' ' 96' ' ' GLN . 46.3 ttm -81.93 105.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 118' ' ' ILE . 65.9 mt -78.91 120.41 23.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.862 -177.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.471 ' HD3' ' HB2' ' A' ' 58' ' ' LYS . 96.8 mtt180 -64.21 -18.03 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.077 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -161.19 164.89 30.17 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.973 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -111.8 9.3 27.74 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-O 119.657 -0.524 . . . . 0.0 114.328 -171.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 m -60.3 -27.09 67.03 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 117.996 0.898 . . . . 0.0 111.292 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -112.77 16.68 19.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.49 70.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.565 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.493 ' HZ2' ' HB2' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -70.11 -29.41 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.429 -178.598 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -70.89 -48.71 52.23 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.878 0.371 . . . . 0.0 110.06 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.6 tt -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.976 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.59 -45.89 81.13 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 176.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.65 -49.7 76.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.891 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -52.23 -42.47 63.62 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.042 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.599 HD13 HG21 ' A' ' 66' ' ' VAL . 84.6 mt -65.42 -48.28 73.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.734 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.1 m -81.44 -3.44 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.876 -176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.2 m -60.28 -30.92 69.77 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 110.699 175.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -93.12 140.22 29.74 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.165 0.507 . . . . 0.0 110.352 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.92 0.22 21.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.505 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -92.53 7.28 43.87 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.44 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.42 112.28 23.84 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.32 -45.96 10.74 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 111.737 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.657 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 9.5 tp10 -145.28 146.79 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.205 -176.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.529 HG23 HG22 ' A' ' 66' ' ' VAL . 3.9 p -148.16 103.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.268 0.556 . . . . 0.0 110.252 178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 90.6 m -111.32 119.6 39.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.699 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 64' ' ' MET . 4.5 pp -99.13 138.15 36.64 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.933 0.397 . . . . 0.0 110.34 177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -95.01 150.7 19.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.725 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 112.65 -50.61 0.76 Allowed Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.967 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? 59.78 107.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 122.936 0.494 . . . . 0.0 110.44 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 68.5 mtm -129.43 -67.41 0.77 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.501 ' N ' ' HD2' ' A' ' 139' ' ' PRO . 51.6 m-85 -84.58 -49.9 0.61 Allowed Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.471 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 138' ' ' TYR . 46.8 Cg_endo -66.98 134.8 35.51 Favored 'Trans proline' 0 C--N 1.362 1.279 0 C-N-CA 121.986 1.791 . . . . 0.0 111.578 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 81.89 -136.04 15.21 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.253 178.091 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' A' ' 4' ' ' ARG . 29.2 t70 -129.42 90.22 2.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.152 0.501 . . . . 0.0 110.048 -175.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.1 pt -84.35 46.55 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 121.449 0.642 . . . . 0.0 110.555 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.419 ' HB2' ' OD2' ' A' ' 2' ' ' ASP . 13.0 ttm180 -57.26 -28.26 62.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.787 -173.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.58 -47.27 76.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.42 . . . . 0.0 110.064 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.35 -45.47 84.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.529 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.521 ' O ' ' HB3' ' A' ' 11' ' ' MET . 15.9 m120 -53.3 -58.31 7.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.829 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.579 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 12.8 t70 -52.87 -68.6 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.333 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.5 -68.5 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.342 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.93 -54.22 29.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.688 -171.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.521 ' HB3' ' O ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -70.69 -41.65 71.73 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.833 -170.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -71.92 -37.03 70.13 Favored 'General case' 0 N--CA 1.461 0.08 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.634 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -66.78 -32.43 73.71 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.012 0.434 . . . . 0.0 110.1 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.2 tp -71.56 -41.79 68.65 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.342 176.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.85 -4.04 57.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.702 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -48.79 -50.55 33.67 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.801 0.334 . . . . 0.0 110.606 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 23.1 tm0? -61.36 -41.63 97.39 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -61.71 -42.04 98.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.71 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.12 -44.98 62.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.005 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -66.1 -35.24 79.97 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.259 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.51 -50.8 69.96 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.257 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 38.7 t70 -60.83 -40.62 93.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.925 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.93 -43.42 86.26 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.368 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 20' ' ' LYS . 81.5 mt -61.95 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.307 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -77.45 -7.76 56.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.98 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 43.6 mt-10 -76.13 -43.82 41.34 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 168.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.43 63.07 4.98 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.397 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.84 122.75 26.47 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.2 mm? -61.56 135.69 94.17 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.444 -178.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.7 168.1 1.83 Allowed 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.099 2.533 . . . . 0.0 112.713 -177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.1 -18.93 64.88 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.238 0.542 . . . . 0.0 110.678 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -118.39 156.09 29.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.731 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.58 ' O ' ' HD3' ' A' ' 35' ' ' PRO . 34.8 ttpt -71.27 172.12 9.89 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' H ' ' HG2' ' A' ' 33' ' ' LYS . 4.2 tmm_? -100.81 100.23 12.2 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 122.125 0.17 . . . . 0.0 110.72 -174.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.58 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 53.1 Cg_endo -92.31 -2.62 3.93 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.255 2.637 . . . . 0.0 112.783 176.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 p -79.78 113.79 18.21 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.575 -174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.561 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -92.29 -50.1 0.3 Allowed Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.037 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 4.4 Cg_exo -77.13 101.04 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.129 1.886 . . . . 0.0 111.702 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 40' ' ' ASP . 2.7 pp -68.1 -16.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.315 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' N ' HD12 ' A' ' 39' ' ' ILE . 16.8 t70 -47.62 -56.02 8.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.95 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -64.83 -33.43 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.968 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -77.12 -31.2 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.902 -174.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HB3' ' NZ ' ' A' ' 43' ' ' LYS . 8.0 mtpm? -90.5 -34.41 15.57 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.608 0.242 . . . . 0.0 111.409 -177.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -91.03 -38.86 12.54 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.111 -178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.1 t70 57.33 89.86 0.1 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 O-C-N 123.454 0.471 . . . . 0.0 110.595 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -72.31 -12.85 27.88 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.69 2.26 . . . . 0.0 112.583 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.14 5.12 58.1 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.837 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -98.5 110.47 56.86 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.459 ' O ' HG13 ' A' ' 52' ' ' ILE . 93.9 Cg_endo -79.8 43.77 1.58 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.036 2.491 . . . . 0.0 113.677 -171.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -71.68 -29.2 64.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.7 p -53.91 -53.74 48.43 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.404 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 56' ' ' THR . 2.7 pp -58.93 -42.01 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 52' ' ' ILE . 1.9 tt -65.77 -37.54 86.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.465 0.65 . . . . 0.0 109.375 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -72.3 -26.41 61.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.321 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -91.62 -21.98 20.52 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.252 -175.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 52' ' ' ILE . 32.2 p -52.32 116.62 2.33 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -89.77 136.78 32.84 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.797 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -91.4 160.38 15.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.26 0.57 20.63 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.888 -0.673 . . . . 0.0 113.222 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.714 ' HG3' ' SD ' ' A' ' 108' ' ' MET . 3.2 mptp? -110.51 98.77 7.89 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.034 0.417 . . . . 0.0 110.072 176.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.1 m -87.64 -32.36 19.3 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.291 0.567 . . . . 0.0 110.132 176.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD13 ' HE1' ' A' ' 138' ' ' TYR . 44.9 tp -162.43 137.15 6.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.917 177.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -135.62 147.63 48.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.3 mtt -129.82 122.21 28.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -86.97 104.86 16.69 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG22 HG13 ' A' ' 131' ' ' VAL . 22.1 t -98.61 104.79 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.345 -176.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 t -85.82 104.97 15.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.469 0.652 . . . . 0.0 109.661 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.656 HG11 HG21 ' A' ' 80' ' ' ILE . 17.2 t -102.61 -58.82 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.604 -172.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.541 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.2 t -72.25 -70.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.719 -171.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 75.96 -4.51 45.71 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.066 -0.587 . . . . 0.0 111.668 -171.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.529 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 59.7 t30 -111.48 133.75 21.37 Favored Pre-proline 0 C--O 1.234 0.281 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -178.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.529 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 80.2 Cg_exo -48.56 -19.66 2.14 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.358 2.705 . . . . 0.0 114.052 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.641 ' HB ' ' HG2' ' A' ' 75' ' ' LYS . 77.1 p -67.87 100.53 0.96 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.817 0.341 . . . . 0.0 110.614 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -57.8 -28.87 64.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.665 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.641 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 13.9 ptmm? -47.18 -43.97 21.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.454 -178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.74 -53.09 61.62 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.417 ' HA ' HG22 ' A' ' 80' ' ' ILE . 14.7 t -70.81 -37.47 73.24 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.72 -176.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.63 -51.34 65.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.074 0.464 . . . . 0.0 110.337 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 45.7 mt-10 -61.81 -46.79 87.99 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.094 -178.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.656 HG21 HG11 ' A' ' 68' ' ' VAL . 11.3 tp -65.96 -39.6 85.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.978 -176.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 97.7 m -64.22 -38.76 92.2 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.821 0.343 . . . . 0.0 110.539 177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.8 m -63.92 -40.01 95.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.427 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 91.1 mt -60.72 -49.61 76.81 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.19 177.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -60.48 -40.96 93.19 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.679 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 89' ' ' PHE . 1.1 tm0? -52.24 -52.16 54.17 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.62 -38.12 95.27 Favored Glycine 0 CA--C 1.522 0.477 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.345 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.421 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 40.3 m -75.55 -20.4 58.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -175.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -94.91 -46.52 6.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.095 0.474 . . . . 0.0 110.691 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 86.0 m-85 -81.83 -2.69 51.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.958 -173.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 36.2 p30 -74.5 -27.48 60.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -103.64 14.68 30.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.698 174.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 44.35 63.54 1.62 Allowed 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 114.669 -1.151 . . . . 0.0 113.267 177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -87.89 109.18 19.59 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 170.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.44 ' HB3' ' NH1' ' A' ' 110' ' ' ARG . 4.5 m-20 -69.05 81.75 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.452 0.644 . . . . 0.0 110.737 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.7 m -131.61 156.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.875 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -115.14 140.76 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.161 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.61 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -135.38 131.5 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.692 -174.13 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -119.58 127.9 53.4 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 99' ' ' ILE . 8.3 tp -91.35 91.59 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.816 0.817 . . . . 0.0 110.155 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.17 137.47 53.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.247 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.07 103.56 1.45 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -51.89 -15.98 0.62 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.541 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.5 p-10 -100.31 -20.92 15.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.571 0.224 . . . . 0.0 111.58 -178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -135.8 177.46 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.634 0.731 . . . . 0.0 112.329 -168.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -147.6 138.63 23.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.09 172.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.9 tt -105.54 122.23 58.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.252 0.548 . . . . 0.0 111.23 -176.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -102.85 108.95 20.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.97 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.714 ' SD ' ' HG3' ' A' ' 60' ' ' LYS . 61.3 ttp -92.7 108.2 19.8 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.5 mt -84.6 134.97 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.294 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 94' ' ' ASP . 98.8 mtt180 -74.96 -20.4 59.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.117 0.484 . . . . 0.0 110.045 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -159.85 151.81 20.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.431 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.86 5.52 82.06 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.246 -0.502 . . . . 0.0 113.407 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.0 t -52.71 -36.61 57.76 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.466 0.306 . . . . 0.0 111.785 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -112.19 16.89 19.93 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 110.508 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.64 -57.69 11.82 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -172.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -62.93 -40.87 98.93 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.25 -47.14 80.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.322 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 14.2 tt -65.44 -35.44 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 123' ' ' VAL . 12.9 ttmm -54.89 -61.93 1.99 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.964 176.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -63.59 -30.81 71.87 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.225 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -57.14 -47.87 80.09 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.517 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 66.7 mt -66.54 -35.81 81.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.038 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 119' ' ' LYS . 61.0 t -70.02 -26.53 30.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.162 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.5 m -63.4 -10.21 15.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -70.15 149.23 47.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 111.293 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -62.63 -38.38 90.01 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.483 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 127' ' ' ARG . 5.3 tpm_? -62.6 -29.09 70.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.2 t 65.78 120.01 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.687 0.617 . . . . 0.0 110.666 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.92 134.1 47.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -86.5 116.91 24.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.309 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.536 HG13 HG22 ' A' ' 66' ' ' VAL . 38.6 t -98.39 97.83 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.219 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.2 p -93.63 123.07 36.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 133' ' ' LEU . 3.3 pp -97.61 158.31 15.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.549 0.214 . . . . 0.0 111.18 -176.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.2 135.1 21.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.557 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.79 -135.82 19.76 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.951 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -157.41 94.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.409 ' CE ' ' HA ' ' A' ' 137' ' ' MET . 2.5 tpt 55.89 41.38 30.07 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.387 0.613 . . . . 0.0 109.909 -178.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.576 ' HA ' ' HD3' ' A' ' 141' ' ' LYS . 26.1 p90 -60.83 -30.2 6.6 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -171.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.533 ' HD3' ' CD1' ' A' ' 138' ' ' TYR . 52.7 Cg_exo -58.36 -19.29 42.51 Favored 'Trans proline' 0 C--N 1.367 1.524 0 C-N-CA 121.475 1.45 . . . . 0.0 112.509 176.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -83.82 -10.91 80.36 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.201 -0.523 . . . . 0.0 112.75 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' A' ' 138' ' ' TYR . 3.6 mptp? . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.763 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.431 -0.267 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.25 89.64 4.31 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.215 0.531 . . . . 0.0 110.357 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.47 ' O ' HG12 ' A' ' 3' ' ' ILE . 11.7 tt -152.26 14.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.05 0.928 . . . . 0.0 108.957 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -61.48 -23.22 65.73 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.855 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.59 -46.31 66.61 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.454 ' HB3' HG12 ' A' ' 3' ' ' ILE . 68.7 t80 -67.06 -47.39 71.45 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.815 178.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 11' ' ' MET . 4.8 m-20 -54.76 -54.69 38.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.089 178.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 21.7 t70 -53.66 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.253 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.14 -65.67 0.53 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 111.495 -175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.14 -58.86 3.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.794 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.564 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 28.9 mmt -66.58 -24.43 66.34 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.285 -170.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . -75.63 -64.68 1.02 Allowed 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.839 171.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.508 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 3.1 mmp_? -57.3 -12.57 2.5 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -174.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.9 mt -107.32 -52.51 2.75 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.5 18.19 12.84 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -172.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -56.6 -23.73 42.86 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 122.103 -0.373 . . . . 0.0 111.196 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -45.37 -48.71 13.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.113 0.483 . . . . 0.0 111.137 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -78.73 -43.67 25.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.469 -171.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -77.35 -27.84 52.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.042 0.449 . . . . 0.0 110.865 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -77.53 -37.36 51.07 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -61.27 -44.88 96.5 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -32.91 74.83 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.981 175.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.18 -38.57 91.53 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.058 0.456 . . . . 0.0 110.683 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.6 mt -79.23 -26.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 177.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -76.02 -43.33 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.408 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -163.82 -161.36 0.63 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.872 -175.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.26 54.69 22.33 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 121.085 -0.578 . . . . 0.0 111.792 177.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.67 128.3 33.28 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 90.3 mt -91.9 116.73 67.01 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.25 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 29' ' ' LEU . 2.8 Cg_exo -74.58 65.96 5.64 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.759 2.306 . . . . 0.0 110.769 176.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -69.03 -41.09 78.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.601 -176.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -132.34 107.67 8.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.909 -177.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 34' ' ' ARG . 65.2 tttp -80.94 163.32 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 174.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' HD3' ' HD2' ' A' ' 35' ' ' PRO . 20.6 tpp180 -55.82 113.73 6.21 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 122.363 0.265 . . . . 0.0 110.438 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.502 ' HD2' ' HD3' ' A' ' 34' ' ' ARG . 50.9 Cg_exo -55.06 -29.63 66.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.897 2.398 . . . . 0.0 112.726 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.414 ' OG ' HD12 ' A' ' 39' ' ' ILE . 25.4 p -100.45 108.67 20.72 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.585 176.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . . . -61.38 -48.81 90.01 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.845 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 37' ' ' ALA . 80.7 Cg_exo -47.82 -47.22 19.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 122.25 1.967 . . . . 0.0 112.763 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.414 HD12 ' OG ' ' A' ' 36' ' ' SER . 56.4 mt -65.05 -43.3 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.617 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' O ' HD13 ' A' ' 44' ' ' LEU . 32.4 t70 -59.12 -57.09 14.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.429 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 59.5 m-85 -63.65 -29.08 70.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.877 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -63.16 -41.13 99.21 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -64.87 -44.18 90.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.075 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 40' ' ' ASP . 9.8 mp -72.15 -16.31 61.98 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.93 177.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t70 67.34 94.38 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.387 0 C-N-CA 122.935 0.494 . . . . 0.0 110.291 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 63.4 Cg_exo -37.81 -47.29 2.04 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 123.969 3.113 . . . . 0.0 113.96 -171.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.3 11.64 84.76 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.482 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD2' ' HD2' ' A' ' 49' ' ' PRO . 19.3 tptp -65.86 126.86 92.55 Favored Pre-proline 0 C--O 1.234 0.284 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.493 ' O ' HG12 ' A' ' 52' ' ' ILE . 11.5 Cg_endo -53.18 123.48 13.31 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.098 2.532 . . . . 0.0 113.019 -173.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -16.82 27.62 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.764 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.5 t -45.81 -34.17 3.57 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.186 175.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 49' ' ' PRO . 31.8 pt -64.39 -40.73 90.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.86 0.362 . . . . 0.0 110.596 177.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.31 -32.16 71.11 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.942 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -72.41 -31.37 65.47 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.215 174.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -79.89 -24.11 41.39 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.8 p -80.02 97.67 6.89 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 174.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -109.57 113.91 27.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.416 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -76.98 157.89 30.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.129 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.51 13.04 17.9 Favored Glycine 0 N--CA 1.454 -0.133 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -173.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -79.22 104.32 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.3 p -85.07 -30.81 23.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.742 -174.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 63' ' ' MET . 5.9 tt -162.26 145.17 11.47 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.582 ' N ' HD23 ' A' ' 62' ' ' LEU . 21.3 ptp -146.62 162.41 38.48 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.12 139.04 25.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.126 0.489 . . . . 0.0 111.323 175.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -96.84 108.38 21.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.291 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 122' ' ' LEU . 17.9 t -96.28 106.68 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.783 -177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.732 ' HB ' ' HB3' ' A' ' 130' ' ' GLU . 22.8 m -78.06 101.65 7.06 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.602 HG11 HG21 ' A' ' 80' ' ' ILE . 18.7 t -102.34 -51.4 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.274 0.559 . . . . 0.0 111.334 -172.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 43.4 t -76.26 -64.82 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.358 -172.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.81 6.37 67.07 Favored Glycine 0 CA--C 1.521 0.469 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -170.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 38.0 t30 -126.38 129.51 24.14 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.469 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 98.9 Cg_exo -46.73 -20.36 1.04 Allowed 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.344 2.696 . . . . 0.0 114.292 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.409 HG23 ' HD3' ' A' ' 75' ' ' LYS . 30.5 m -57.21 100.48 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 177.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' HG3' ' H ' ' A' ' 74' ' ' GLU . 13.3 mt-10 -50.76 -33.0 21.42 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.656 0.741 . . . . 0.0 110.605 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.689 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 3.1 mptp? -63.75 -31.84 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.421 -1.263 . . . . 0.0 111.161 -168.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.22 -58.81 6.37 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.51 ' HA ' HG22 ' A' ' 80' ' ' ILE . 8.8 t -67.23 -35.82 80.36 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.468 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -55.5 -58.32 8.27 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.09 0.471 . . . . 0.0 110.638 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 42.1 mm-40 -65.15 -46.32 81.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.35 -176.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.602 HG21 HG11 ' A' ' 68' ' ' VAL . 10.3 tp -65.66 -39.34 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.05 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.3 m -70.02 -31.76 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.27 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 t -64.73 -41.36 96.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 79' ' ' GLU . 97.7 mt -61.04 -47.19 87.55 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.231 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.461 ' HE1' ' HG3' ' A' ' 125' ' ' GLN . 35.4 m0 -64.87 -38.56 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.751 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -56.97 -53.33 59.26 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.49 -47.92 88.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.905 177.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -56.37 -46.6 79.97 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.835 0.35 . . . . 0.0 111.22 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 96.5 mt -68.39 -34.37 75.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -77.66 -14.85 59.51 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.692 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.56 -42.27 18.55 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 172.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.15 53.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.442 176.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 t30 67.39 76.52 0.28 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.525 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -134.22 105.38 6.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.785 173.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.24 91.06 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.087 0.47 . . . . 0.0 109.886 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.9 m -120.61 139.22 48.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.083 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -101.74 106.86 17.93 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.699 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -112.75 141.34 46.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.815 -175.371 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -135.9 149.67 49.06 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.03 0.443 . . . . 0.0 110.592 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.13 99.84 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.866 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 100' ' ' VAL . 15.1 m -125.38 101.69 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.311 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.82 104.33 2.05 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -170.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m -54.48 -14.77 1.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -175.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.539 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 9.0 p-10 -84.12 -25.07 29.98 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 120.892 0.377 . . . . 0.0 111.403 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -133.28 178.33 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.216 0.532 . . . . 0.0 111.789 -170.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.28 139.24 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.15 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.4 tt -103.18 127.27 57.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.93 0.395 . . . . 0.0 111.153 -177.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -109.25 115.94 30.96 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.756 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 81.9 mtp -102.33 120.65 40.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.396 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.664 HD21 HG21 ' A' ' 118' ' ' ILE . 6.0 mp -100.28 163.33 12.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.172 0.51 . . . . 0.0 111.556 -175.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.474 HH11 ' HA ' ' A' ' 110' ' ' ARG . 9.4 mmm180 -97.63 -23.42 15.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.086 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.555 ' HB3' ' HE1' ' A' ' 114' ' ' TYR . 13.2 t70 -137.39 151.23 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.391 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -94.7 -8.86 59.15 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 121.259 -0.496 . . . . 0.0 113.858 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.4 t -72.9 -55.16 7.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 117.437 0.619 . . . . 0.0 110.356 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.555 ' HE1' ' HB3' ' A' ' 111' ' ' ASP . 33.1 p90 -73.8 0.2 13.89 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.701 0.286 . . . . 0.0 110.792 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . . . -59.42 -38.04 79.61 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.062 0.458 . . . . 0.0 110.868 177.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -39.16 65.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.1 -51.57 69.17 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 123.444 0.465 . . . . 0.0 110.719 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.664 HG21 HD21 ' A' ' 109' ' ' LEU . 11.3 tt -65.27 -38.0 81.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -44.87 73.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.045 176.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.542 ' HA ' HG22 ' A' ' 123' ' ' VAL . 56.1 m-20 -67.55 -45.31 76.01 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.175 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -55.66 -41.77 74.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.456 177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 66' ' ' VAL . 96.3 mt -67.34 -44.51 78.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.024 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.671 ' HA ' ' SG ' ' A' ' 128' ' ' CYS . 27.7 m -78.35 -12.39 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.632 0.253 . . . . 0.0 111.45 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.2 m -85.11 -13.63 49.64 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.582 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.521 HE22 ' HB3' ' A' ' 127' ' ' ARG . 0.4 OUTLIER -76.05 126.62 31.34 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 175.705 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -51.52 -36.42 44.7 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -169.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.521 ' HB3' HE22 ' A' ' 125' ' ' GLN . 66.3 ttt180 -91.03 24.24 2.89 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.961 0.41 . . . . 0.0 111.445 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.671 ' SG ' ' HA ' ' A' ' 123' ' ' VAL . 42.5 t -74.43 94.56 2.59 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.022 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.49 5.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.22 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.732 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 4.9 tm-20 -151.94 144.88 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.453 HG23 HG22 ' A' ' 66' ' ' VAL . 4.4 p -144.89 104.82 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.26 0.552 . . . . 0.0 110.82 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 79.5 m -88.65 115.91 26.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.668 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.8 tt -99.67 115.54 29.69 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.832 -172.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.428 ' HB2' ' HG3' ' A' ' 63' ' ' MET . 8.6 mm-40 -87.01 85.84 7.28 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.085 177.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 162.68 55.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.92 80.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 111.061 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 69.6 mtm -104.6 -52.06 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.856 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -147.28 69.1 11.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.071 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.09 177.63 5.6 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.064 2.509 . . . . 0.0 112.266 -176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 84.87 171.2 48.0 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -174.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.031 -179.601 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 112.159 -0.377 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -166.27 166.79 16.55 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.7 tt -90.13 -2.67 10.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-O 120.681 0.277 . . . . 0.0 111.538 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -58.13 -21.78 48.14 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 122.339 -0.226 . . . . 0.0 111.505 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -47.36 -45.93 25.29 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.968 0.413 . . . . 0.0 109.915 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -58.73 -44.04 90.33 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.41 174.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.496 HD22 ' N ' ' A' ' 7' ' ' ASN . 0.8 OUTLIER -58.57 -62.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.199 -177.674 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -57.79 -55.74 31.02 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -54.2 45.62 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.131 -173.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.84 -46.63 68.02 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 29.0 mmt -63.32 -40.76 98.21 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.332 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.16 93.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.879 0.371 . . . . 0.0 110.178 176.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -54.38 -42.4 70.31 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.83 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -84.39 -52.71 5.97 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.533 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.83 -31.11 70.73 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.73 -34.04 69.07 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.423 . . . . 0.0 110.098 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -62.89 -45.6 91.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.831 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -64.57 -41.88 95.99 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.28 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -56.47 -61.26 2.53 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.725 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -60.1 -49.2 78.59 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.65 -176.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -57.58 -41.24 80.73 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.217 0.532 . . . . 0.0 110.416 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.61 -53.27 60.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.203 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -77.77 -20.96 52.47 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.423 -175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 20' ' ' LYS . 53.3 mt -65.91 -45.41 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 174.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.77 -40.94 63.09 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-O 121.358 0.599 . . . . 0.0 109.706 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 55.82 18.19 2.84 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.98 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.12 21.74 40.82 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.914 -0.584 . . . . 0.0 113.745 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.65 152.66 24.66 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 117.779 0.789 . . . . 0.0 109.98 176.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.3 mm? -81.02 123.17 82.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.993 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.58 88.6 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.509 2.139 . . . . 0.0 112.345 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -70.75 -24.93 62.71 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.758 0.79 . . . . 0.0 108.916 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -125.87 126.41 44.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.441 -1.254 . . . . 0.0 109.109 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -75.5 164.49 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.033 0.444 . . . . 0.0 111.536 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -83.71 111.15 30.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -46.91 -38.85 24.07 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.337 2.691 . . . . 0.0 113.551 -173.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 m -87.01 112.12 21.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.477 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.4 -47.97 0.53 Allowed Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.695 176.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -81.1 40.17 0.96 Allowed 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.204 1.936 . . . . 0.0 112.767 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.7 pt -56.17 -29.65 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.751 0.31 . . . . 0.0 111.217 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.17 -41.64 84.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.233 0.539 . . . . 0.0 110.395 178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -66.34 -25.83 67.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.42 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -78.05 -39.7 41.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.072 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.83 -41.56 97.82 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mp -94.15 -65.45 0.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.99 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.1 t70 58.44 83.0 0.22 Allowed Pre-proline 0 N--CA 1.469 0.477 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.213 -171.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.3 -44.08 3.84 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.786 2.324 . . . . 0.0 112.46 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.46 -54.75 4.61 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.103 -176.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 48' ' ' LYS . 43.5 mtmt -80.65 163.59 55.57 Favored Pre-proline 0 C--N 1.326 -0.449 0 C-N-CA 122.573 0.349 . . . . 0.0 110.628 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 48' ' ' LYS . 73.9 Cg_endo -75.61 97.32 1.09 Allowed 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.153 1.902 . . . . 0.0 110.796 172.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -72.14 97.35 1.93 Allowed 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.148 0.499 . . . . 0.0 110.806 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.5 t -60.69 -31.82 71.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.064 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.567 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.6 pp -60.03 -48.0 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.44 176.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.567 ' N ' HD12 ' A' ' 52' ' ' ILE . 9.5 tt -63.71 -32.43 73.92 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.517 0.675 . . . . 0.0 109.29 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -71.38 -34.07 70.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.284 177.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.522 ' HG3' ' HA ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -99.41 -4.19 32.07 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -173.416 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 52' ' ' ILE . 23.4 p -48.75 124.04 7.84 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.892 0.377 . . . . 0.0 111.274 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.555 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 2.8 ttmp? -122.37 140.42 52.7 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.459 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' N ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -106.39 161.3 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.2 -175.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.556 ' HA3' HH21 ' A' ' 110' ' ' ARG . . . 115.32 68.07 0.44 Allowed Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.979 176.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HD2' ' SD ' ' A' ' 108' ' ' MET . 20.6 pttp -158.76 105.38 1.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 m -98.59 -30.33 12.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.811 -171.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.703 HD23 HD12 ' A' ' 109' ' ' LEU . 57.2 tp -135.45 145.32 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.274 -176.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 50.8 mtm -127.82 138.28 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.447 ' HG2' ' HG ' ' A' ' 133' ' ' LEU . 63.5 mtt -128.21 120.33 27.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.246 178.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -88.84 101.62 14.21 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 122' ' ' LEU . 17.1 t -95.63 101.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.628 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 25.7 m -72.85 103.42 3.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.55 HG11 HG21 ' A' ' 80' ' ' ILE . 26.2 t -100.05 -43.65 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.237 0.542 . . . . 0.0 110.463 -174.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.704 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 37.7 t -91.39 -63.91 1.19 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.274 -175.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.503 ' H ' ' HB2' ' A' ' 103' ' ' ASP . . . 87.43 -11.01 67.08 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.433 -171.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.502 ' ND2' ' OG1' ' A' ' 73' ' ' THR . 3.7 p-10 -126.17 151.44 71.97 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 176.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.32 -15.23 47.43 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.071 3.181 . . . . 0.0 116.734 -166.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.502 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -68.55 162.13 26.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.505 1.048 . . . . 0.0 112.278 -163.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -87.15 -17.95 31.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.555 -175.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.42 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 59.2 mttt -56.14 -73.12 0.06 Allowed 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.856 0.836 . . . . 0.0 110.989 -173.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 1.3 pm0 -55.61 -45.21 77.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.163 -1.38 . . . . 0.0 111.995 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.1 t -63.85 -42.74 97.49 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.015 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.52 -49.15 74.66 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.113 0.482 . . . . 0.0 109.784 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -60.06 -50.52 73.38 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.675 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG21 HG11 ' A' ' 68' ' ' VAL . 11.3 tp -72.07 -40.61 67.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.358 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 m -64.15 -40.15 95.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.0 p -68.12 -39.03 82.86 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.44 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.29 -58.48 7.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.744 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -64.52 -34.77 79.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.8 -35.73 71.23 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 110.102 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.53 -61.29 2.99 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.112 176.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -57.34 -50.05 74.2 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.64 -38.79 84.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.794 0.33 . . . . 0.0 111.492 -173.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.09 -32.46 39.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.597 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -75.44 -22.09 57.63 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 109.999 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.06 2.99 40.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.461 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.549 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER 66.92 44.41 2.03 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.755 173.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -90.46 164.14 14.38 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.69 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 4.5 p30 -92.99 15.97 13.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.701 HG12 HD22 ' A' ' 109' ' ' LEU . 18.0 m -87.18 132.85 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -173.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -113.6 142.34 46.09 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.549 ' HD3' ' H ' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -117.66 143.53 46.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 110.487 -177.211 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -142.54 150.3 40.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.185 173.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 tt -111.11 114.24 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.262 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 100' ' ' VAL . 7.5 p -146.07 106.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 176.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.65 87.02 0.61 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 -162.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.0 p -48.06 -32.28 6.51 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -167.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.704 ' HA ' ' HB3' ' A' ' 69' ' ' SER . 5.9 p-10 -67.91 -21.5 65.13 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 120.789 0.328 . . . . 0.0 111.425 -175.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -129.1 122.36 29.76 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 110.742 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.95 127.5 38.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.2 tt -97.91 131.67 44.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.96 0.41 . . . . 0.0 110.441 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -117.25 125.96 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.127 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.515 ' SD ' ' HD2' ' A' ' 60' ' ' LYS . 56.3 mtm -107.79 112.51 25.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 62' ' ' LEU . 18.0 mt -91.53 131.83 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.419 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.556 HH21 ' HA3' ' A' ' 59' ' ' GLY . 37.3 mtp180 -83.17 -25.54 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.169 0.509 . . . . 0.0 109.762 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -131.58 165.74 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.272 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.05 -3.2 39.12 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.208 -175.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.8 m -61.61 -34.77 76.21 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.959 0.379 . . . . 0.0 111.784 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -103.59 11.81 35.73 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.601 0.239 . . . . 0.0 110.605 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.5 -65.29 0.62 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.945 0.402 . . . . 0.0 112.036 -175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -33.46 75.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -176.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.09 -50.13 74.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.326 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.592 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 11.2 tt -67.95 -36.96 77.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.722 ' HG2' HG11 ' A' ' 131' ' ' VAL . 1.2 tmmt? -52.49 -54.73 28.53 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.087 0.47 . . . . 0.0 110.336 177.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.568 ' HA ' HG22 ' A' ' 123' ' ' VAL . 18.9 m-20 -66.38 -35.33 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.676 179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -58.96 -40.4 84.59 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 110.47 175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.633 HD13 HG21 ' A' ' 66' ' ' VAL . 88.0 mt -68.72 -46.94 67.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.781 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 120' ' ' ASP . 19.0 m -70.74 -24.92 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.6 t -80.64 -3.65 51.3 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.464 ' HG2' HD11 ' A' ' 80' ' ' ILE . 6.2 tp-100 -60.39 151.75 27.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.557 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -52.03 -43.28 63.65 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 122.754 0.422 . . . . 0.0 111.59 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 53.1 tpt85 -67.97 -18.7 64.82 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.318 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 61.4 m 61.52 79.75 0.24 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.236 0.541 . . . . 0.0 110.345 -176.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.92 129.88 37.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.552 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -92.66 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.154 0.502 . . . . 0.0 110.134 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.722 HG11 ' HG2' ' A' ' 119' ' ' LYS . 7.7 p -95.45 139.32 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.365 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.3 m -125.32 130.48 52.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.195 173.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.602 ' HB2' ' HG2' ' A' ' 137' ' ' MET . 7.2 mp -86.21 146.92 26.35 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.904 0.383 . . . . 0.0 110.594 -176.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.04 137.39 54.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 94.65 -84.86 0.98 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.404 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -126.94 123.26 36.76 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.726 0.298 . . . . 0.0 111.211 -175.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.602 ' HG2' ' HB2' ' A' ' 133' ' ' LEU . 73.9 mtp -103.61 100.44 10.28 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 174.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 138' ' ' TYR . 0.0 OUTLIER -137.93 117.72 10.06 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.077 -174.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.52 -28.1 38.7 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 93.36 -104.09 3.13 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.735 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.755 -0.64 . . . . 0.0 110.339 -178.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.02 140.62 37.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 0.0 111.404 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.611 HG22 ' HB3' ' A' ' 6' ' ' TYR . 11.5 mt -92.42 47.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 173.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -56.66 -37.84 71.36 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.338 -1.301 . . . . 0.0 112.369 -166.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.61 -45.2 92.64 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.273 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.611 ' HB3' HG22 ' A' ' 3' ' ' ILE . 26.5 t80 -58.61 -47.9 82.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.862 175.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.02 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.337 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.15 -59.53 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.645 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 13' ' ' ARG . . . -66.07 -56.03 13.59 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -172.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 16.0 t70 -69.12 -39.88 78.65 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.926 -172.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.425 ' O ' HD13 ' A' ' 15' ' ' LEU . 26.2 mmt -69.17 -36.68 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.231 178.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' GLU . . . -57.99 -47.36 83.24 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 175.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 21.0 mtm180 -64.94 -39.04 92.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.995 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.07 -52.11 64.02 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.027 0.441 . . . . 0.0 109.867 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 10.4 mp -67.97 -28.77 67.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 11.0 tm-20 -54.38 -35.78 63.2 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.957 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 89.6 mt-30 -57.59 -48.09 80.33 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.407 178.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.627 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 74.1 m95 -66.46 -39.35 88.77 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.417 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 13.6 mm-40 -58.95 -51.94 67.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.511 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 17' ' ' GLN . 21.1 ptmt -66.72 -40.35 88.37 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.142 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -58.69 -40.52 83.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.096 0.474 . . . . 0.0 109.932 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 30.5 t70 -65.68 -39.84 91.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 178.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -62.0 -40.82 96.98 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.89 0.376 . . . . 0.0 110.738 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 20' ' ' LYS . 78.2 mt -73.01 -57.86 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.636 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -95.04 -20.36 19.4 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -171.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 22' ' ' ASP . 44.7 mt-10 65.97 95.95 0.05 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 122.984 0.514 . . . . 0.0 111.843 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.34 90.33 0.01 OUTLIER Glycine 0 C--N 1.335 0.524 0 O-C-N 123.629 0.581 . . . . 0.0 114.146 172.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.57 98.47 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 90.9 mt -103.42 168.25 8.98 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.525 -175.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 29' ' ' LEU . 16.3 Cg_endo -57.45 -176.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.86 2.373 . . . . 0.0 112.497 173.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -67.43 -6.09 17.72 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -177.025 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -122.19 106.0 10.74 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.007 0.432 . . . . 0.0 110.135 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.5 ' HG2' ' HB2' ' A' ' 29' ' ' LEU . 37.8 mtmt -102.36 -177.14 3.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.388 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -50.23 116.13 6.22 Favored Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.917 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.93 -14.58 23.85 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.496 2.131 . . . . 0.0 111.235 173.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.8 t -129.18 126.88 40.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.517 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -74.98 -47.59 4.71 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.234 -177.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 54.5 Cg_endo -68.19 88.81 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 121.826 1.684 . . . . 0.0 111.986 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.1 pt -63.03 -18.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.745 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -49.99 -60.06 3.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.585 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 92.3 m-85 -62.41 -35.6 79.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.814 -177.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.5 t -66.63 -32.07 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.54 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -79.17 -47.69 15.58 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mp -76.7 -27.31 55.44 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.361 -178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t70 61.46 90.55 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.467 0 O-C-N 123.469 0.481 . . . . 0.0 110.342 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.573 ' HD3' ' O ' ' A' ' 41' ' ' PHE . 7.9 Cg_exo -71.48 139.42 34.47 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.882 2.388 . . . . 0.0 112.469 -172.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.1 11.13 82.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.928 175.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -57.98 109.39 1.76 Allowed Pre-proline 0 CA--C 1.536 0.409 0 CA-C-O 120.66 0.267 . . . . 0.0 110.818 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.591 ' O ' HG12 ' A' ' 52' ' ' ILE . 12.5 Cg_exo -70.27 -21.45 31.12 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.016 2.477 . . . . 0.0 112.769 -174.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.564 ' HA ' HD23 ' A' ' 53' ' ' LEU . 3.1 mp0 -57.4 -18.21 16.63 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -176.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.3 t -52.49 -47.0 66.82 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.066 0.46 . . . . 0.0 110.588 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.618 HG13 HD22 ' A' ' 53' ' ' LEU . 32.0 pt -68.64 -37.1 77.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.459 -178.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.618 HD22 HG13 ' A' ' 52' ' ' ILE . 3.0 mm? -67.77 -23.81 65.27 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.673 0.273 . . . . 0.0 110.316 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.9 -45.43 28.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.822 178.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 52' ' ' ILE . 25.6 ptt? -79.91 -20.41 45.85 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.789 -177.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.6 m -87.6 112.46 22.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.691 0.282 . . . . 0.0 110.639 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -134.28 143.54 47.81 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.989 0.424 . . . . 0.0 111.09 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -108.45 161.77 14.73 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.794 173.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.84 64.02 0.75 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.057 177.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.48 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 20.0 pttp -147.92 107.22 3.9 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.13 0.491 . . . . 0.0 110.45 175.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 25.5 p -89.06 -32.05 17.75 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 173.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -162.73 123.29 2.41 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.692 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 14.7 ptp -128.03 150.1 50.08 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 174.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.485 ' HG2' HD23 ' A' ' 133' ' ' LEU . 57.5 mtt -125.6 146.39 49.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.659 -177.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 132' ' ' THR . 97.5 m-85 -109.11 110.2 21.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 172.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG21 HD13 ' A' ' 122' ' ' LEU . 32.9 t -99.55 101.81 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.364 -177.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 130' ' ' GLU . 7.5 t -84.55 109.73 18.17 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.5 0.667 . . . . 0.0 110.004 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.756 HG11 HG21 ' A' ' 80' ' ' ILE . 38.4 t -103.29 -60.34 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.534 -172.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.0 p -78.83 -58.41 3.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.381 -174.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.88 0.14 84.27 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -173.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 5.1 p-10 -126.13 145.76 53.46 Favored Pre-proline 0 C--O 1.234 0.287 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 71' ' ' ASN . 34.6 Cg_exo -59.54 -19.88 54.44 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.361 2.707 . . . . 0.0 114.337 -170.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.492 HG21 ' NZ ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -60.39 108.14 0.77 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.039 0.447 . . . . 0.0 110.335 -178.073 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -63.09 -37.23 86.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.586 -0.733 . . . . 0.0 112.579 -169.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.492 ' NZ ' HG21 ' A' ' 73' ' ' THR . 0.0 OUTLIER -58.98 -25.3 63.47 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -167.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -61.65 -71.09 0.16 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.611 ' HA ' HG22 ' A' ' 80' ' ' ILE . 87.0 m -65.42 -30.59 71.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 -176.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -59.44 -55.58 32.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.104 0.478 . . . . 0.0 110.508 177.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.94 -44.66 84.43 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.583 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.756 HG21 HG11 ' A' ' 68' ' ' VAL . 10.8 tp -63.26 -36.87 77.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.543 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.5 m -67.18 -36.56 82.03 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.207 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.479 ' O ' ' HG3' ' A' ' 85' ' ' GLN . 66.3 m -59.19 -44.22 92.2 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.142 0.496 . . . . 0.0 110.288 175.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.432 HD12 HD12 ' A' ' 80' ' ' ILE . 88.2 mt -62.96 -49.48 74.56 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.388 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.511 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 18.1 m0 -59.01 -55.36 36.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.382 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 82' ' ' SER . 1.2 pp0? -55.54 -40.72 72.23 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.28 97.1 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.692 175.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.458 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 25.3 t -76.82 -17.15 59.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.255 0.222 . . . . 0.0 111.308 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 84' ' ' TRP . 97.8 mt -90.95 -41.26 11.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 111.128 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.433 ' HD2' ' O ' ' A' ' 85' ' ' GLN . 35.7 m-85 -75.79 -17.54 59.83 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 11.1 p30 -74.97 -20.75 59.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.09 8.39 44.62 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.488 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.1 t30 51.61 77.4 0.14 Allowed 'General case' 0 C--O 1.232 0.165 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.341 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -109.41 132.99 53.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.695 172.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' A' ' 110' ' ' ARG . 23.4 p-10 -89.41 41.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.557 0.694 . . . . 0.0 110.581 -175.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.447 HG12 ' HG ' ' A' ' 109' ' ' LEU . 27.3 m -87.69 133.47 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.718 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' HA ' ' OE1' ' A' ' 96' ' ' GLN . 14.0 mm-40 -100.51 110.23 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.265 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.591 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -113.29 128.07 56.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.12 -170.595 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -140.55 159.37 42.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.406 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' A' ' 102' ' ' SER . 10.0 tt -114.48 110.07 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.217 0.532 . . . . 0.0 110.57 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 100' ' ' VAL . 15.4 m -119.6 105.33 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.287 177.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.45 101.52 0.3 Allowed Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -171.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.458 ' HA ' HD11 ' A' ' 99' ' ' ILE . 47.9 t -41.79 -30.65 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -171.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.4 -35.31 62.73 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.96 0.41 . . . . 0.0 111.575 -176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.492 ' HD3' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -144.5 149.99 36.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.193 0.52 . . . . 0.0 111.656 -173.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.36 136.78 49.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.381 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tt -93.94 113.81 29.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.267 0.556 . . . . 0.0 110.674 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.42 102.78 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.678 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 73.3 mtm -87.67 133.96 33.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.555 HD21 HG21 ' A' ' 118' ' ' ILE . 6.5 mp -111.32 120.01 40.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.455 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . 55.5 ttp180 -73.93 -38.32 64.31 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -112.47 111.55 22.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.153 168.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.9 22.75 34.44 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 121.168 -0.539 . . . . 0.0 113.02 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.1 t -70.74 -45.93 63.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.001 0.401 . . . . 0.0 110.153 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -89.35 21.81 3.16 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.2 -45.96 72.31 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.749 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.9 m95 -67.97 -33.06 73.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -71.43 -47.86 53.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.955 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.555 HG21 HD21 ' A' ' 109' ' ' LEU . 11.9 tt -65.1 -39.35 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.446 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -57.42 -52.95 63.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.73 -38.49 69.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.456 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.79 -50.76 72.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.836 175.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.529 HD13 HG21 ' A' ' 66' ' ' VAL . 86.4 mt -63.31 -37.19 86.28 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 66.3 t -74.37 -31.12 27.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.44 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 t -73.36 -0.36 14.47 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.294 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.435 ' HG3' ' H ' ' A' ' 127' ' ' ARG . 6.1 tp-100 -57.05 150.64 16.68 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -58.78 -33.51 70.41 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 110.718 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.435 ' H ' ' HG3' ' A' ' 125' ' ' GLN . 23.4 ttm180 -84.52 -12.68 53.74 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.632 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 71.0 m 57.0 87.79 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.417 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.51 148.96 26.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.836 -178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.446 ' HB2' HG23 ' A' ' 67' ' ' THR . 40.4 mt-10 -94.76 113.86 25.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.639 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 39.3 t -105.68 117.97 52.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.606 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 65' ' ' PHE . 11.8 t -112.89 147.99 35.88 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.485 HD23 ' HG2' ' A' ' 64' ' ' MET . 89.2 mt -90.98 145.69 24.5 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.971 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -88.23 132.37 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 113.55 -79.43 0.27 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.365 -0.445 . . . . 0.0 111.998 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -169.01 -179.69 3.73 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.403 ' HA ' ' CE ' ' A' ' 137' ' ' MET . 0.2 OUTLIER -79.97 79.74 6.47 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.399 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -55.75 -50.51 86.65 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.413 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.44 5.39 4.23 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.952 1.768 . . . . 0.0 113.201 -176.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -157.31 83.53 0.14 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.238 -176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.845 -0.597 . . . . 0.0 109.836 179.797 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -138.21 123.49 19.34 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -89.87 36.43 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -50.42 -37.77 39.66 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.897 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.42 -50.05 66.01 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.495 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.14 -44.02 93.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.103 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' MET . 14.3 m120 -55.37 -64.17 0.93 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.477 -178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.14 -57.3 12.31 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.727 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.43 -66.53 0.42 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.823 0.344 . . . . 0.0 111.766 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -69.01 -43.72 74.22 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.06 -171.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.474 ' O ' HD13 ' A' ' 15' ' ' LEU . 43.0 ttm -74.03 -37.42 64.33 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -174.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.78 -36.39 80.39 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.735 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -38.36 85.64 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 174.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.2 tp -67.2 -44.7 78.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.082 0.467 . . . . 0.0 110.404 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.511 ' HA ' ' HD1' ' A' ' 18' ' ' TRP . 9.7 mp -78.81 -7.54 57.94 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.168 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -48.47 -42.2 31.95 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 122.922 0.489 . . . . 0.0 110.941 178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -63.11 -45.15 93.36 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.852 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.511 ' HD1' ' HA ' ' A' ' 15' ' ' LEU . 92.8 m95 -66.29 -40.04 89.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 -177.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -31.07 71.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 176.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' HG13 ' A' ' 24' ' ' ILE . 23.8 tptp -69.36 -39.8 77.89 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 11.8 m-20 -62.55 -37.84 87.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.62 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 14.8 t70 -58.72 -46.06 88.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.491 176.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.87 -43.9 77.58 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.6 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 20' ' ' LYS . 73.8 mt -62.32 -37.97 80.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.403 178.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 45.0 mt-10 -72.61 -30.08 64.05 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.422 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 46.0 mt-10 -53.75 -57.83 9.41 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.667 0.27 . . . . 0.0 110.551 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.97 82.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -176.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.08 152.49 32.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.384 . . . . 0.0 110.884 -173.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.9 mt -127.27 143.34 46.8 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.964 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.12 -179.99 5.56 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.572 2.182 . . . . 0.0 111.687 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -73.37 -17.55 61.27 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.403 0.62 . . . . 0.0 109.989 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -78.11 168.84 19.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.045 176.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -67.17 -179.87 1.06 Allowed 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -53.24 122.25 29.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.99 0.57 4.88 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.864 2.376 . . . . 0.0 113.04 -175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -68.9 107.35 3.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.429 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.57 ' N ' ' HD2' ' A' ' 38' ' ' PRO . . . -85.1 -47.98 0.62 Allowed Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.879 179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 23.6 Cg_endo -60.35 124.87 16.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 121.75 1.634 . . . . 0.0 111.775 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.2 tt -78.7 1.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.878 -176.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HA ' ' HB3' ' A' ' 43' ' ' LYS . 5.7 m-20 -45.4 -33.98 2.85 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.051 0.541 . . . . 0.0 112.049 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -54.43 -54.39 41.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.022 0.439 . . . . 0.0 110.679 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.7 t -83.5 -27.45 29.4 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.351 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.525 ' HB3' ' HA ' ' A' ' 40' ' ' ASP . 23.3 tptm -62.8 -51.77 65.78 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.267 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 mp -81.27 -41.98 21.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.648 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 32.5 t70 54.31 58.39 12.15 Favored Pre-proline 0 N--CA 1.469 0.503 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -174.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 45' ' ' ASP . 68.3 Cg_endo -96.55 130.11 0.36 Allowed 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.313 2.675 . . . . 0.0 114.259 -169.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.535 ' O ' ' HD3' ' A' ' 49' ' ' PRO . . . 87.79 -21.79 21.07 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.989 -0.55 . . . . 0.0 114.19 167.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -95.89 109.1 44.7 Favored Pre-proline 0 N--CA 1.466 0.33 0 CA-C-N 117.513 0.657 . . . . 0.0 111.764 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 47' ' ' GLY . 43.0 Cg_endo -96.98 -73.12 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.521 2.814 . . . . 0.0 111.006 170.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 55.05 72.33 0.48 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.081 0.552 . . . . 0.0 111.913 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.4 t -53.72 -38.44 64.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.948 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.647 HD12 ' N ' ' A' ' 53' ' ' LEU . 2.5 pp -57.26 -41.88 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.235 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 52' ' ' ILE . 9.4 tt -71.93 -33.54 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.06 0.457 . . . . 0.0 109.898 -177.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -77.35 -31.96 54.8 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.587 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.456 ' HG3' ' HA ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -85.05 -21.87 29.22 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.936 -177.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.5 m -75.46 120.9 21.53 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.98 108.53 19.62 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.013 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -83.82 106.03 15.18 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.873 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.83 70.82 1.07 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.781 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.785 ' HD3' ' H ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -79.07 114.13 17.76 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.229 0.537 . . . . 0.0 109.642 179.122 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.5 p -81.62 -24.58 36.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.598 -172.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.466 ' HG ' HD23 ' A' ' 109' ' ' LEU . 42.4 tp -80.31 104.89 11.17 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.211 0.529 . . . . 0.0 111.2 -171.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.573 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 15.7 ptp -134.83 137.51 43.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.911 172.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.4 ' HB2' HG12 ' A' ' 131' ' ' VAL . 10.7 ptm -139.95 128.45 22.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.682 -173.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.37 115.38 23.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.48 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 HD13 ' A' ' 122' ' ' LEU . 26.3 t -96.7 106.59 18.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.3 t -89.47 110.65 21.46 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.237 0.542 . . . . 0.0 109.893 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.718 HG11 HG21 ' A' ' 80' ' ' ILE . 48.4 t -101.82 -56.69 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.738 -176.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.734 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 19.8 m -61.53 -50.58 72.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.565 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.25 -4.1 5.13 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.668 ' OD1' ' HD2' ' A' ' 72' ' ' PRO . 65.7 t30 -127.97 142.25 43.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 124.407 1.083 . . . . 0.0 108.393 -173.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.668 ' HD2' ' OD1' ' A' ' 71' ' ' ASN . 24.7 Cg_exo -39.06 -17.09 0.04 OUTLIER 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 124.128 3.219 . . . . 0.0 115.83 176.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 71' ' ' ASN . 2.2 t -63.72 128.57 36.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.385 178.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -79.53 -24.36 42.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.726 ' H ' ' HD2' ' A' ' 75' ' ' LYS . 2.6 mptp? -58.62 -48.19 81.82 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.3 -165.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.556 ' HB2' ' OG ' ' A' ' 69' ' ' SER . 5.8 mm-40 -58.49 -62.82 1.57 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.158 0.504 . . . . 0.0 110.68 -177.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.0 m -59.84 -37.6 79.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.832 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -64.79 -52.83 54.75 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.575 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 8.7 mm-40 -59.87 -48.0 83.47 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.978 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.718 HG21 HG11 ' A' ' 68' ' ' VAL . 11.4 tp -66.34 -38.28 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.841 -177.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.7 m -64.93 -34.04 77.46 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.69 0.281 . . . . 0.0 110.293 177.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.6 t -64.46 -45.03 89.17 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.394 0.616 . . . . 0.0 109.626 174.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.599 HD12 HD12 ' A' ' 80' ' ' ILE . 78.7 mt -57.21 -38.72 74.13 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.947 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.722 ' HZ2' ' HG3' ' A' ' 125' ' ' GLN . 28.7 m0 -74.54 -31.51 62.15 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.207 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.437 ' OE1' ' HD2' ' A' ' 97' ' ' ARG . 7.9 tp60 -58.03 -35.57 71.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 176.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.93 -50.92 4.7 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.452 174.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.562 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 61.5 m -61.38 -58.28 8.86 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.09 -35.19 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.739 0.304 . . . . 0.0 111.438 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HZ ' HH11 ' A' ' 97' ' ' ARG . 12.5 m-85 -78.12 -34.44 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -174.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.562 ' ND2' ' HA ' ' A' ' 87' ' ' SER . 8.0 p30 -70.19 -23.4 62.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.01 4.22 23.66 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.384 173.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 75.03 18.46 2.52 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.667 0.787 . . . . 0.0 112.313 173.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -95.72 92.8 6.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.812 0.339 . . . . 0.0 110.322 176.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.14 79.31 2.29 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.323 0.582 . . . . 0.0 109.631 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.0 m -94.14 143.59 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.983 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 108' ' ' MET . 90.1 mm-40 -100.44 100.58 11.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.287 0.565 . . . . 0.0 109.825 -177.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.602 ' H ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -107.69 131.2 54.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.7 -174.488 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.403 ' O ' HG22 ' A' ' 106' ' ' ILE . 49.6 m-85 -128.4 125.92 39.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 99' ' ' ILE . 11.6 tt -80.37 89.59 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.73 0.776 . . . . 0.0 110.361 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.24 117.01 52.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.968 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.97 102.85 0.73 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -167.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -45.65 -29.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -170.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.734 ' HA ' ' HB2' ' A' ' 69' ' ' SER . 5.2 p-10 -85.07 -11.25 55.72 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -173.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -145.31 154.9 42.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.303 0.573 . . . . 0.0 112.124 -172.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.09 128.69 48.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.217 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 97' ' ' ARG . 9.2 tt -85.18 121.35 36.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.997 0.427 . . . . 0.0 110.543 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -101.26 117.75 35.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.336 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.567 ' SD ' ' NZ ' ' A' ' 60' ' ' LYS . 44.7 ttm -99.48 123.9 44.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.225 177.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.466 HD23 ' HG ' ' A' ' 62' ' ' LEU . 2.7 mm? -102.24 151.59 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.584 -174.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -73.12 -43.4 61.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -145.18 175.97 9.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.98 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.98 16.32 15.78 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.714 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 m -63.88 -34.33 77.71 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 117.378 0.589 . . . . 0.0 110.805 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -108.86 18.0 21.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.42 80.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.377 -175.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -29.77 63.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.992 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.28 -53.46 43.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.219 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.603 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 13.4 tt -64.86 -38.67 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.24 -49.39 76.19 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.817 0.341 . . . . 0.0 110.251 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.494 ' HA ' HG22 ' A' ' 123' ' ' VAL . 15.4 t70 -60.89 -42.27 97.65 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.96 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -56.45 -42.25 77.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.498 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 118' ' ' ILE . 78.4 mt -72.13 -43.43 64.71 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.512 -177.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 120' ' ' ASP . 18.6 m -75.39 -26.74 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 120.659 0.266 . . . . 0.0 111.214 -177.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.7 m -81.95 -0.8 45.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.377 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.722 ' HG3' ' HZ2' ' A' ' 84' ' ' TRP . 15.7 mm100 -63.68 162.08 13.83 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.77 177.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.32 -34.69 48.14 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.837 -176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -87.36 -12.85 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.944 -177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 123' ' ' VAL . 55.8 m 54.28 76.83 0.22 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.139 0.495 . . . . 0.0 110.469 -175.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -90.18 128.68 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.111 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.74 148.21 26.48 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 64' ' ' MET . 20.5 t -126.57 121.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.046 -176.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.4 p -98.71 113.02 24.92 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.086 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 133' ' ' LEU . 6.0 mp -86.64 151.11 23.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -177.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.573 ' HG3' ' HG3' ' A' ' 63' ' ' MET . 11.9 mm-40 -81.57 106.47 13.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.112 173.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.9 155.16 30.56 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.36 -0.447 . . . . 0.0 112.652 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -107.51 73.97 0.94 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.117 0.484 . . . . 0.0 110.028 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.439 ' N ' ' SD ' ' A' ' 137' ' ' MET . 3.8 mpp? -74.96 -45.54 41.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.677 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.505 ' H ' ' HD2' ' A' ' 139' ' ' PRO . 63.1 m-85 -93.83 -50.92 0.26 Allowed Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.216 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.505 ' HD2' ' H ' ' A' ' 138' ' ' TYR . 58.7 Cg_endo -71.61 -171.24 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 121.797 1.665 . . . . 0.0 111.697 177.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -172.72 73.07 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.504 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.938 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.698 . . . . . . . . 1 1 . 1 stop_ save_