data_2pas_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 2pas _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 1.2 pttt -67.9 -39.44 83.6 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.243 -0.911 . . . . 0.0 108.76 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.437 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 4.7 m-20 -86.41 -12.9 47.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.843 . . . . 0.0 109.148 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.82 7.72 35.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.43 -0.794 . . . . 0.0 109.422 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.95 -167.8 1.32 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 109.481 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -99.85 -6.25 27.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.642 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 79.28 -75.75 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.851 . . . . 0.0 110.099 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.61 -25.72 62.95 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.41 -31.9 72.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.041 -1.037 . . . . 0.0 109.265 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.16 -21.32 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.436 -0.79 . . . . 0.0 109.258 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -79.45 -20.71 46.77 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.258 -0.902 . . . . 0.0 109.968 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.08 -40.71 14.43 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.042 -1.036 . . . . 0.0 109.258 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.86 -53.25 28.22 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 121.023 -1.048 . . . . 0.0 110.044 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -62.23 -34.3 76.23 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.541 -0.724 . . . . 0.0 110.021 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -70.42 -19.96 62.95 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.92 -1.112 . . . . 0.0 109.73 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.22 -21.95 20.86 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.334 -0.854 . . . . 0.0 109.628 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 20' ' ' ALA . 16.7 m -109.06 -15.89 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.503 -1.279 . . . . 0.0 112.29 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.2 mttt -32.8 -31.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.336 -0.853 . . . . 0.0 111.699 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -47.06 173.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.985 -1.072 . . . . 0.0 109.403 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -99.73 69.26 1.58 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.432 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.59 12.45 1.99 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 18' ' ' VAL . 86.8 p -93.55 5.4 51.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.525 -0.986 . . . . 0.0 110.918 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 18.7 t80 -91.56 139.62 30.53 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.632 -1.293 . . . . 0.0 110.338 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.553 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 1.9 m-80 -117.7 -64.71 1.26 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.553 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 43.6 p-80 140.92 -28.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -85.28 -53.43 5.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.378 -0.826 . . . . 0.0 110.468 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -27.66 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.024 -1.048 . . . . 0.0 109.861 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 28.2 t80 -73.18 -63.71 1.13 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.175 -0.953 . . . . 0.0 110.004 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -58.34 -39.34 79.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.05 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.02 69.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.076 -1.015 . . . . 0.0 109.193 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' VAL . 2.4 mt -80.93 -63.72 1.34 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 109.562 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -43.34 -45.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 109.488 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 31.88 3.98 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.158 -1.02 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' CG ' ' CG1' ' A' ' 106' ' ' VAL . 14.5 tp -71.03 -31.0 67.36 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.814 -1.404 . . . . 0.0 109.381 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -67.86 -28.86 67.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.143 -0.973 . . . . 0.0 109.525 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.42 -33.25 71.02 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.106 -0.996 . . . . 0.0 109.483 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 tpp -54.77 167.6 0.36 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.162 -0.961 . . . . 0.0 109.485 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 40' ' ' ALA . 7.8 p -97.08 145.11 26.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.548 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.04 -40.92 0.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.647 -0.658 . . . . 0.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.98 -52.87 30.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.67 -6.02 18.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.055 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 64.7 t -88.46 -41.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -61.24 -24.03 66.07 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -80.93 -30.83 35.24 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.76 -38.01 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.209 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.712 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.5 t80 -68.41 -49.99 56.09 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -44.9 -31.03 1.11 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.05 -40.95 29.99 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' PHE . 31.2 mm -55.41 -33.83 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 121.074 -1.017 . . . . 0.0 108.459 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 55' ' ' SER . 25.4 t0 -60.72 83.98 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.868 0.842 . . . . 0.0 109.48 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -61.33 -49.05 78.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.911 -0.493 . . . . 0.0 111.746 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.6 p30 -88.69 29.94 0.96 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.654 -1.279 . . . . 0.0 111.216 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . 40.15 41.54 0.98 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.155 -0.965 . . . . 0.0 110.812 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.483 ' OG ' ' O ' ' A' ' 55' ' ' SER . 3.9 t -112.81 34.58 4.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.892 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 39.0 36.08 0.46 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 15.6 m-85 -150.17 153.86 37.03 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.301 -1.117 . . . . 0.0 110.825 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.629 ' CG1' ' CE2' ' A' ' 47' ' ' PHE . 1.8 mm -109.11 98.37 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -88.05 172.51 9.48 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.004 -1.06 . . . . 0.0 110.434 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -51.05 -40.05 57.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.601 -0.687 . . . . 0.0 109.905 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.82 -34.54 76.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.977 -1.077 . . . . 0.0 109.54 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -63.31 -46.01 88.68 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.5 mt -50.71 -40.82 55.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -55.75 -43.69 76.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -0.831 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -112.12 25.81 11.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 0.0 109.394 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.1 p -45.33 -41.4 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.465 -0.772 . . . . 0.0 111.458 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.44 38.11 0.93 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.564 -1.335 . . . . 0.0 109.331 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 -38.38 20.79 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.477 -0.764 . . . . 0.0 108.992 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -58.32 -27.66 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.306 -0.871 . . . . 0.0 108.965 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.56 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.3 m-30 -89.11 -27.63 20.62 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -157.91 116.41 3.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.577 -0.702 . . . . 0.0 109.197 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.89 -38.19 1.49 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.431 -0.793 . . . . 0.0 109.096 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.454 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 10.2 t70 -142.79 61.85 1.41 Allowed 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.06 -86.4 0.94 Allowed Glycine 0 N--CA 1.485 1.903 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -91.4 111.73 23.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.991 . . . . 0.0 110.174 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 3.6 m-20 -90.24 105.22 17.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 108.792 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' ASP . 4.0 mm? -41.1 150.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 0.0 110.397 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -95.83 -6.54 39.2 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.472 -0.767 . . . . 0.0 109.153 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.2 t0 105.9 -62.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 105.75 -1.945 . . . . 0.0 105.75 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.96 88.99 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.72 -25.63 68.27 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.866 0.841 . . . . 0.0 109.524 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -84.43 -22.13 30.49 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -82.21 -13.62 56.82 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.43 -51.7 5.78 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -47.81 64.16 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.92 -47.9 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.568 -0.708 . . . . 0.0 110.822 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -86.69 6.45 31.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.82 -1.175 . . . . 0.0 110.944 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.51 -19.77 12.0 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.852 -1.155 . . . . 0.0 108.49 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.68 -37.35 5.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.542 -0.724 . . . . 0.0 110.081 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -66.08 91.55 0.16 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.081 -1.012 . . . . 0.0 109.669 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -51.48 11.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.92 . . . . 0.0 109.331 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -66.43 -14.07 61.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.263 -0.898 . . . . 0.0 109.472 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.52 42.77 99.83 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -95.37 -30.13 14.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -1.154 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.0 -5.37 23.87 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -138.43 127.19 23.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.121 -1.223 . . . . 0.0 109.603 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.73 100.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.406 -0.809 . . . . 0.0 109.781 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.56 -160.9 2.0 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.712 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 11.6 mm -72.18 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.977 -1.308 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 70.3 m-20 -37.24 -37.75 0.19 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.65 -47.15 64.34 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 99' ' ' ILE . 59.9 t80 -66.54 -56.67 9.73 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.725 -0.61 . . . . 0.0 111.049 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -18.83 49.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.65 -1.281 . . . . 0.0 109.788 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 m -82.2 -29.18 31.58 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.31 -15.82 30.45 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.454 ' CG1' ' CG ' ' A' ' 35' ' ' LEU . 16.7 t -84.61 -29.58 6.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.42 -0.8 . . . . 0.0 109.06 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 4.5 m80 -88.0 -32.36 18.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.791 . . . . 0.0 109.577 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.02 14.18 12.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 0.0 109.36 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.424 179.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -76.18 -26.58 56.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.138 -0.976 . . . . 0.0 109.12 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.84 -10.19 15.6 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.435 -0.791 . . . . 0.0 109.447 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.441 ' CD2' ' CD2' ' A' ' 6' ' ' LEU . 6.9 tt -89.4 -43.24 11.03 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.853 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.441 ' CD2' ' CD2' ' A' ' 5' ' ' LEU . 3.4 pp -151.99 144.51 24.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.0 110.951 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.65 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 8.9 mptt 64.51 32.97 11.33 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 121.39 -0.819 . . . . 0.0 110.356 178.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.64 68.74 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.62 -34.92 23.02 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.297 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.46 -36.01 82.6 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.65 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 2.8 mt -55.38 -46.39 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.61 -34.51 26.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.779 -0.576 . . . . 0.0 110.196 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -85.08 -25.45 27.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.958 -1.089 . . . . 0.0 109.583 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -73.09 -34.26 66.09 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.963 -1.086 . . . . 0.0 110.231 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.6 mt -74.89 -45.16 44.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.574 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -17.57 54.17 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.43 -0.794 . . . . 0.0 108.919 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.81 -30.18 26.75 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 m -132.07 29.98 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.204 -0.935 . . . . 0.0 111.678 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' LEU . 6.9 tttm -59.67 -29.54 68.13 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.518 -1.364 . . . . 0.0 111.134 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 174.07 0.12 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.897 -1.127 . . . . 0.0 109.895 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.57 69.17 1.87 Allowed 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 122.113 0.959 . . . . 0.0 109.048 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.46 9.31 1.04 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -89.89 10.55 23.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -1.14 . . . . 0.0 109.95 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE2' ' CG ' ' A' ' 29' ' ' PHE . 33.9 t80 -82.21 143.24 31.52 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.084 -1.01 . . . . 0.0 110.412 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 8.2 m-20 -125.46 -30.68 3.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.524 -0.735 . . . . 0.0 109.139 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER 97.68 -39.16 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.382 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 12.1 mtpp -90.84 -37.06 13.85 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 109.131 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -35.8 55.37 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.213 -0.929 . . . . 0.0 108.797 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CG ' ' CE2' ' A' ' 24' ' ' PHE . 89.9 t80 -66.99 -60.01 3.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.475 -0.766 . . . . 0.0 109.263 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -66.32 -31.84 72.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.419 -0.801 . . . . 0.0 109.577 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 27' ' ' LYS . . . -48.66 -50.18 34.19 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.061 -1.024 . . . . 0.0 109.225 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.22 -45.54 47.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 110.127 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.544 ' CG1' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -44.27 -49.74 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.095 -1.003 . . . . 0.0 110.136 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.544 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . 104.36 27.26 6.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 35' ' ' LEU . 4.7 tp -101.94 19.05 19.12 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 120.852 -1.381 . . . . 0.0 109.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -84.03 -19.05 35.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 111.204 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.16 29.23 4.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.443 -1.41 . . . . 0.0 110.581 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.02 157.65 27.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.883 -1.136 . . . . 0.0 108.989 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.0 OUTLIER -64.82 117.68 7.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.986 . . . . 0.0 109.533 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.27 -28.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.631 -0.668 . . . . 0.0 111.297 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 t30 -74.06 -58.76 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.789 -1.194 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.34 -4.97 20.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.24 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 39' ' ' SER . 17.6 t -89.07 -43.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -24.94 66.72 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -77.96 -31.45 50.86 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.6 t -67.26 -47.41 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.0 t80 -58.49 -52.14 66.9 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -43.6 -31.49 0.76 Allowed 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 179.304 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.12 -45.22 42.45 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.535 ' CG2' ' CD1' ' A' ' 58' ' ' ILE . 41.7 mm -53.71 -32.17 20.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -61.4 83.18 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.523 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.499 ' CB ' ' CD ' ' A' ' 62' ' ' GLU . . . -44.34 -69.98 0.12 Allowed 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.532 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -89.55 22.15 3.12 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.978 -1.076 . . . . 0.0 111.185 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 48.59 59.96 4.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 110.761 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.7 p -116.1 36.03 4.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.68 22.17 1.74 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 49.6 m-85 -151.82 142.5 22.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -1.216 . . . . 0.0 110.638 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.54 ' CG1' ' CE2' ' A' ' 47' ' ' PHE . 3.6 mm -89.38 114.81 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.87 167.26 13.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.79 -1.194 . . . . 0.0 110.719 -177.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -53.79 -36.6 62.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.713 -0.617 . . . . 0.0 109.549 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -33.82 75.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 109.745 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.499 ' CD ' ' CB ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -66.73 -42.74 85.79 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' CD2' ' CD1' ' A' ' 85' ' ' PHE . 59.3 mt -54.7 -39.3 68.04 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 5.7 mttt -57.32 -41.43 79.93 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.44 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 26.5 m-85 -115.28 33.69 5.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.388 -0.82 . . . . 0.0 109.381 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PHE . 2.7 p -39.46 -32.75 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.865 . . . . 0.0 111.25 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mt -103.77 44.06 1.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.577 -1.327 . . . . 0.0 109.775 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -85.12 -40.11 17.14 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -63.69 -21.28 66.31 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -89.51 -22.63 22.34 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -164.8 117.63 1.26 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.87 -37.55 1.32 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.331 -0.856 . . . . 0.0 109.087 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -143.88 62.22 1.36 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.15 -85.08 1.21 Allowed Glycine 0 N--CA 1.486 2.013 0 C-N-CA 119.955 -1.117 . . . . 0.0 110.319 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.452 ' CZ ' ' OE1' ' A' ' 81' ' ' GLU . 6.0 mmm180 -90.96 112.77 24.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -1.094 . . . . 0.0 110.723 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.26 116.87 27.81 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.527 ' CG ' ' OG1' ' A' ' 82' ' ' THR . 3.1 mm? -62.7 151.67 37.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.983 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -97.09 -23.1 16.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.368 -0.833 . . . . 0.0 110.277 -179.298 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 10.2 t70 121.33 -62.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.55 87.72 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.452 ' OE1' ' CZ ' ' A' ' 75' ' ' ARG . 31.4 tt0 -61.03 -36.47 79.63 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.094 0.95 . . . . 0.0 108.576 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.527 ' OG1' ' CG ' ' A' ' 77' ' ' LEU . 21.0 m -77.84 -20.65 52.73 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -77.97 -10.89 59.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.79 -50.25 6.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.448 ' CD1' ' CD2' ' A' ' 63' ' ' LEU . 1.3 t80 -58.93 -47.82 83.68 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.48 -42.76 99.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.571 -0.706 . . . . 0.0 110.112 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 4.7 16.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.104 -0.997 . . . . 0.0 110.107 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.82 -15.9 8.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.106 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.58 15.43 7.6 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.545 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -132.86 63.64 1.63 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.937 . . . . 0.0 109.238 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.34 -44.22 83.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.299 -0.876 . . . . 0.0 109.713 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' ' OD1' ' A' ' 94' ' ' ASP . 44.0 p-10 -63.34 -14.98 55.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.192 -0.943 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.07 40.06 98.43 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' OD1' ' OD2' ' A' ' 92' ' ' ASP . 9.4 p-10 -96.68 -7.24 34.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -1.167 . . . . 0.0 109.771 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.56 15.52 80.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.33 124.64 10.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -1.169 . . . . 0.0 109.767 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.35 101.63 12.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 0.0 109.06 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.96 -165.42 3.97 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 9.5 mm -72.01 -72.24 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.281 -1.129 . . . . 0.0 109.762 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.505 ' C ' ' O ' ' A' ' 99' ' ' ILE . 19.8 p-10 -37.53 -36.87 0.18 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.999 -1.063 . . . . 0.0 110.619 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -44.99 60.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.896 -1.127 . . . . 0.0 107.985 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 99' ' ' ILE . 47.0 t80 -67.69 -52.94 31.95 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.79 -0.569 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.639 ' CG ' ' CE1' ' A' ' 107' ' ' HIS . 31.0 tt0 -70.05 -9.69 56.2 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.659 -1.276 . . . . 0.0 110.589 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.438 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 2.0 m -90.41 -56.28 3.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.628 -1.295 . . . . 0.0 108.197 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -44.19 91.62 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.973 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.43 -41.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.445 -0.784 . . . . 0.0 108.891 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.639 ' CE1' ' CG ' ' A' ' 103' ' ' GLU . 28.7 m170 -74.16 -16.77 60.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.528 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -100.39 39.87 1.31 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.426 -179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -89.98 -10.3 45.51 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.281 -0.887 . . . . 0.0 109.735 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.49 -23.11 65.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.4 tp -89.34 -41.13 12.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 108.709 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 pp -146.03 137.83 25.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.15 37.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.92 -1.113 . . . . 0.0 110.156 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.86 -122.26 0.06 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.992 -1.067 . . . . 0.0 110.205 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -60.64 -14.33 19.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.768 -1.207 . . . . 0.0 109.643 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -75.15 -32.09 61.21 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.304 -0.873 . . . . 0.0 109.363 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.592 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 2.5 mp -91.3 -21.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.687 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -82.23 -22.82 35.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.828 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -90.67 -48.22 7.19 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.165 -0.959 . . . . 0.0 108.82 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.46 90.02 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.324 -0.86 . . . . 0.0 110.21 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.3 mm? -67.61 -45.39 75.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 0.0 109.442 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.72 -18.32 63.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.11 -0.993 . . . . 0.0 108.964 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.29 -25.83 31.2 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 m -133.63 27.14 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.116 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' LEU . 9.0 tptp -65.41 -23.25 66.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.311 -1.493 . . . . 0.0 111.089 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.82 172.42 2.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.066 -1.021 . . . . 0.0 110.217 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -98.59 70.63 1.94 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.098 0.951 . . . . 0.0 109.135 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.7 5.62 0.9 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.6 p -103.99 24.57 11.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -1.147 . . . . 0.0 109.626 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.594 ' CE1' ' N ' ' A' ' 26' ' ' HIS . 42.2 t80 -90.43 142.49 27.68 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.011 -1.056 . . . . 0.0 110.395 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 27' ' ' LYS . 6.2 t-20 -140.86 90.49 2.34 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.594 ' N ' ' CE1' ' A' ' 24' ' ' PHE . 13.1 p-80 -31.26 -34.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.826 -0.547 . . . . 0.0 111.535 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.077 -1.014 . . . . 0.0 110.586 -179.094 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -69.95 -51.68 30.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.963 -1.086 . . . . 0.0 109.944 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 52.1 t80 -48.59 -65.3 0.59 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 110.097 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -62.18 -35.03 77.59 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.474 -0.766 . . . . 0.0 110.285 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 27' ' ' LYS . . . -60.76 -22.91 64.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.979 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 33' ' ' VAL . 1.1 tp -88.78 -60.54 1.93 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LEU . 6.2 m -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.28 -29.71 1.9 Allowed Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.57 -1.3 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -43.16 -29.85 0.41 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -1.182 . . . . 0.0 111.119 -179.316 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -39.02 -27.51 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.134 -0.979 . . . . 0.0 110.522 -179.035 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . -177.04 65.68 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.905 -1.122 . . . . 0.0 109.683 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 tpt -87.65 -68.24 0.77 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.253 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' ASN . 51.5 p -172.79 113.75 0.26 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.192 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -32.98 -33.9 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.808 -0.557 . . . . 0.0 111.568 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' SER . 1.7 t30 -74.25 -58.31 3.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.79 -1.194 . . . . 0.0 110.092 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -71.67 -1.85 15.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.097 -1.002 . . . . 0.0 109.689 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.546 ' CG1' ' OE1' ' A' ' 103' ' ' GLU . 49.2 t -92.77 -46.86 14.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -64.73 -22.46 66.99 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -30.66 54.74 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.16 -48.26 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.665 ' CE2' ' CG1' ' A' ' 58' ' ' ILE . 1.6 t80 -60.32 -51.3 70.13 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -44.05 -27.88 0.42 Allowed 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.605 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -82.28 -42.1 19.27 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' PHE . 35.4 mm -55.75 -30.05 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 56' ' ' GLY . 33.2 t0 -71.18 78.45 0.7 Allowed 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.87 0.843 . . . . 0.0 109.311 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.94 -50.34 64.24 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.408 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' ALA . 40.4 p30 -88.54 24.25 2.01 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.711 -1.243 . . . . 0.0 110.774 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . 36.56 54.0 1.07 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.478 -0.764 . . . . 0.0 110.908 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.4 p -118.95 39.07 3.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.114 -0.991 . . . . 0.0 108.524 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 51' ' ' ASP . . . 42.43 29.92 0.77 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 55' ' ' SER . 45.9 m-85 -150.98 147.85 27.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.974 -1.309 . . . . 0.0 111.129 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.665 ' CG1' ' CE2' ' A' ' 47' ' ' PHE . 3.8 mm -101.26 110.3 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' OE1' ' OE2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -88.8 156.31 19.04 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.879 -1.138 . . . . 0.0 109.927 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -51.46 -35.67 40.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 0.0 109.618 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.71 84.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.25 -0.907 . . . . 0.0 110.004 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' OE2' ' OE1' ' A' ' 59' ' ' GLU . 4.4 mt-10 -66.8 -40.66 88.18 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.7 mt -53.19 -33.55 53.17 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -54.87 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.807 . . . . 0.0 109.178 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' LEU . 38.7 m-85 -90.04 14.47 12.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.089 -1.007 . . . . 0.0 108.996 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.0 p -37.46 -26.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.65 -0.656 . . . . 0.0 111.639 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -117.34 46.62 1.67 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.409 -1.432 . . . . 0.0 111.137 -178.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.54 -24.59 15.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.022 -1.049 . . . . 0.0 108.243 178.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -72.85 -25.86 61.26 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -89.08 -20.62 24.1 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -170.18 125.98 0.79 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -42.45 -32.35 0.53 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.273 -0.892 . . . . 0.0 109.149 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.35 49.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.64 -72.84 0.84 Allowed Glycine 0 N--CA 1.488 2.105 0 N-CA-C 110.451 -1.059 . . . . 0.0 110.451 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.474 ' NH1' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -87.47 -64.88 1.08 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -1.176 . . . . 0.0 110.243 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.474 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 4.9 t70 66.9 108.22 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.974 . . . . 0.0 108.875 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 81' ' ' GLU . 3.0 mm? -60.18 153.36 22.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -98.96 -7.09 27.54 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.439 -0.788 . . . . 0.0 109.732 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 34.0 t0 108.26 -61.79 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.05 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 45.6 mt-10 -65.6 -18.05 65.04 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.601 0.715 . . . . 0.0 110.058 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 m -84.69 -24.53 28.92 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -82.2 -16.62 49.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.18 -51.38 6.33 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.65 -46.32 73.97 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.499 0.666 . . . . 0.0 109.209 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.41 -41.19 98.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.627 -0.67 . . . . 0.0 110.559 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -9.92 55.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.95 -1.093 . . . . 0.0 110.127 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' CB ' ' CE1' ' A' ' 26' ' ' HIS . . . -114.21 -12.69 12.45 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.068 -1.02 . . . . 0.0 108.825 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -95.07 -21.73 18.36 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.396 -0.815 . . . . 0.0 109.277 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -104.56 -176.74 3.17 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.935 . . . . 0.0 109.562 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm 173.74 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -68.03 -11.08 58.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.312 -0.868 . . . . 0.0 109.198 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.28 10.28 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -110.0 5.28 22.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -1.21 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.21 22.16 6.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -145.22 141.83 29.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -1.162 . . . . 0.0 109.552 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.68 99.51 8.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.554 -0.716 . . . . 0.0 109.416 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.76 -164.47 3.4 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.132 -1.987 . . . . 0.0 108.132 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.635 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 11.1 mm -70.03 -77.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.015 -1.285 . . . . 0.0 110.467 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.4 t0 -39.94 -38.12 0.66 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.032 -1.042 . . . . 0.0 110.612 -177.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.59 -42.62 74.2 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.229 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.527 ' O ' ' CG2' ' A' ' 106' ' ' VAL . 10.1 t80 -74.05 -54.17 8.41 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.608 -0.683 . . . . 0.0 111.523 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.546 ' OE1' ' CG1' ' A' ' 43' ' ' VAL . 24.0 mm-40 -69.96 -5.49 26.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.015 -1.053 . . . . 0.0 110.339 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.518 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.4 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -32.57 65.35 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.235 -0.916 . . . . 0.0 109.259 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 102' ' ' PHE . 3.2 t -65.77 -40.55 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.363 -0.836 . . . . 0.0 109.391 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 103' ' ' GLU . 40.0 m170 -72.38 -38.5 68.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.304 -0.872 . . . . 0.0 109.441 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.46 -18.88 65.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.365 -0.834 . . . . 0.0 109.245 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.412 179.835 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.53 ' CB ' ' CE1' ' A' ' 70' ' ' PHE . . . . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -84.62 -31.71 24.1 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.584 -0.698 . . . . 0.0 109.381 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.6 -16.1 40.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tp -90.23 -40.22 12.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.159 -0.963 . . . . 0.0 110.048 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 2.6 pp -146.44 166.85 25.16 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.151 -0.968 . . . . 0.0 109.594 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER 162.96 40.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.11 -132.86 0.07 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.284 . . . . 0.0 111.283 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -58.76 -15.04 10.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.967 -1.083 . . . . 0.0 110.044 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.23 -34.48 65.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -90.89 -27.18 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.14 -0.975 . . . . 0.0 109.599 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -21.91 39.28 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.405 -0.809 . . . . 0.0 110.103 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -90.12 -40.07 12.47 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.107 -0.996 . . . . 0.0 109.241 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.512 ' CB ' ' CE1' ' A' ' 29' ' ' PHE . . . -63.51 -50.28 70.2 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.038 -1.039 . . . . 0.0 110.217 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.98 -43.94 77.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.931 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -63.23 -17.43 62.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.889 -1.132 . . . . 0.0 109.119 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.25 -23.07 24.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 m -142.06 40.73 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 119.264 -0.975 . . . . 0.0 110.746 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -90.19 -4.45 57.24 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.604 -1.31 . . . . 0.0 112.163 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.47 -172.41 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.512 -1.367 . . . . 0.0 109.921 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -98.89 67.51 1.67 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.078 0.942 . . . . 0.0 109.876 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.17 8.25 2.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.5 p -91.44 0.88 57.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -1.066 . . . . 0.0 111.233 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CE2' ' CG ' ' A' ' 29' ' ' PHE . 13.7 t80 -90.93 136.56 32.99 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 120.437 -1.415 . . . . 0.0 111.179 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.519 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.8 m-20 -120.86 -87.37 0.64 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CE1' ' CD ' ' A' ' 27' ' ' LYS . 20.7 p-80 170.98 -28.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 13.7 mtpp -84.54 -51.64 6.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.888 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -24.47 63.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.101 -0.999 . . . . 0.0 110.189 -178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.539 ' CG ' ' CE2' ' A' ' 24' ' ' PHE . 94.6 t80 -76.55 -64.89 1.01 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.159 -0.963 . . . . 0.0 109.706 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -60.86 -34.07 74.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 110.202 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' LYS . . . -64.88 -35.29 80.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.258 -0.901 . . . . 0.0 109.71 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -52.23 16.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.909 . . . . 0.0 109.919 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p -51.96 -40.12 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 109.949 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 132.3 -24.78 3.93 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -36.69 -37.14 0.13 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.734 -0.862 . . . . 0.0 110.591 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -56.47 7.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.133 -0.979 . . . . 0.0 109.885 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.91 47.84 1.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' SER . 3.8 tpp -90.22 26.86 1.78 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.014 . . . . 0.0 109.453 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 41' ' ' ASN . 5.0 p 60.56 116.87 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.297 -0.877 . . . . 0.0 109.717 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.49 -25.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.515 -0.741 . . . . 0.0 111.614 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.5 t30 -73.79 -58.26 3.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.603 -1.311 . . . . 0.0 109.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.38 -2.59 17.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 109.24 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 39' ' ' SER . 20.8 t -91.19 -44.4 14.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.35 -20.22 66.3 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -83.1 -31.11 27.44 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.46 -40.29 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.6 t80 -65.75 -50.31 65.22 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -41.93 -30.01 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.117 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -82.72 -42.74 17.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' PHE . 41.6 mm -53.58 -27.21 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.142 -0.974 . . . . 0.0 108.969 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' A' ' 55' ' ' SER . 6.2 t70 -85.21 55.42 3.49 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 122.225 1.012 . . . . 0.0 108.488 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . -29.11 -47.94 0.06 Allowed 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' SER . 38.1 p30 -87.35 39.93 0.9 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.353 -1.467 . . . . 0.0 111.201 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' CA ' ' OD2' ' A' ' 51' ' ' ASP . . . 29.35 35.6 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.596 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.5 m -96.6 25.6 5.03 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.585 -1.322 . . . . 0.0 108.515 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.21 23.37 1.76 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 30.9 m-85 -145.07 142.17 29.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.365 -1.079 . . . . 0.0 110.743 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CG2' ' CG2' ' A' ' 50' ' ' ILE . 10.6 mm -89.69 106.15 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.64 157.64 18.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.879 -1.138 . . . . 0.0 110.011 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.83 -51.53 29.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.458 -0.776 . . . . 0.0 109.849 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -56.1 -31.79 63.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.277 -0.89 . . . . 0.0 110.32 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' CG ' ' CB ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -74.08 -35.5 64.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.048 -1.033 . . . . 0.0 108.631 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.9 mt -53.2 -44.98 68.41 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -60.19 -48.31 82.26 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 10.4 m-85 -90.42 37.44 0.91 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.826 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 9.9 p -56.61 -49.62 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.511 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 34.9 mt -81.49 8.59 9.14 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.457 -1.402 . . . . 0.0 110.062 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -43.93 69.24 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.439 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -68.28 -28.99 67.68 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.53 ' CE1' ' CB ' ' A' ' 2' ' ' ALA . 5.7 m-30 -89.68 -0.67 57.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' PHE . . . 165.28 133.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.245 -0.91 . . . . 0.0 109.086 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.11 -54.26 38.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.027 . . . . 0.0 108.802 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.03 51.95 0.93 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.57 -69.97 1.33 Allowed Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.281 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 45.1 tpt85 -83.66 -75.22 0.34 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.058 -1.26 . . . . 0.0 111.135 -178.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 9.6 t0 74.08 60.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 76' ' ' ASP . 8.0 mp -42.73 165.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.66 0.743 . . . . 0.0 110.759 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.661 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -92.46 -19.62 21.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.661 ' CB ' ' O ' ' A' ' 78' ' ' THR . 35.1 t0 121.55 -60.73 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 -177.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.43 73.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.464 ' OE2' ' NH2' ' A' ' 75' ' ' ARG . 24.2 mt-10 -62.1 -33.6 74.74 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.172 0.986 . . . . 0.0 108.852 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -10.32 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -49.12 6.77 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -47.3 81.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.81 -43.95 94.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.552 -0.717 . . . . 0.0 110.292 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.75 1.71 16.45 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.064 -1.022 . . . . 0.0 110.345 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 105' ' ' LEU . . . -120.95 -13.38 8.62 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 108.857 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.09 9.46 11.17 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.421 -0.8 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 94' ' ' ASP . 25.0 t0 -126.94 73.29 1.4 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -23.67 59.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.29 -0.882 . . . . 0.0 109.611 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -85.53 -5.62 59.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 109.564 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 57.47 48.13 83.15 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 90' ' ' ASP . 22.0 p-10 -120.68 16.93 11.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -1.151 . . . . 0.0 109.732 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 47.18 31.13 5.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -148.0 135.64 20.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -1.092 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.2 mp -122.97 99.31 6.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.406 -0.809 . . . . 0.0 109.258 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.61 -164.32 6.38 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 5.7 mm -73.91 -71.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.188 -1.183 . . . . 0.0 109.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 99' ' ' ILE . 1.4 p30 -37.23 -35.86 0.12 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.914 -1.116 . . . . 0.0 110.613 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -73.15 -46.0 53.48 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' A' ' 99' ' ' ILE . 47.9 t80 -68.76 -54.16 17.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.64 -0.663 . . . . 0.0 110.478 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.6 -11.48 35.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.759 -1.213 . . . . 0.0 110.627 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -85.98 -49.93 7.46 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.447 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 4.6 tp -69.72 -55.2 10.59 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.727 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.8 t -49.69 -37.73 12.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.726 -0.608 . . . . 0.0 109.706 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -70.48 -41.07 73.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.096 -1.003 . . . . 0.0 109.631 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.39 33.66 0.82 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 0.0 109.506 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.437 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -90.05 -30.54 17.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.302 -0.874 . . . . 0.0 109.309 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -87.76 -6.72 58.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.262 -0.898 . . . . 0.0 109.538 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tt -91.81 5.23 50.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.155 -0.965 . . . . 0.0 109.681 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -129.56 -166.87 1.72 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.522 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 1.9 mptp? -100.86 -4.19 28.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 83.95 -45.59 0.1 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.334 0.588 . . . . 0.0 109.766 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.58 -32.88 74.71 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.325 -0.859 . . . . 0.0 109.723 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.01 -28.64 66.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.957 -1.089 . . . . 0.0 108.642 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.495 ' CG2' ' CD1' ' A' ' 15' ' ' LEU . 2.9 mp -80.18 -19.22 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 0.0 109.089 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.57 -13.51 42.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.811 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -90.55 -50.92 5.66 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.058 -1.026 . . . . 0.0 108.356 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -34.85 78.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.274 -0.891 . . . . 0.0 110.124 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -77.29 -33.41 55.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.547 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.88 -20.58 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.309 -0.87 . . . . 0.0 110.189 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.08 -20.7 21.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.074 -1.016 . . . . 0.0 109.496 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' A' ' 20' ' ' ALA . 33.3 m -108.57 -20.61 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.827 -1.17 . . . . 0.0 111.861 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -31.02 -31.66 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.742 -0.599 . . . . 0.0 112.022 -178.07 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -47.9 170.8 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.738 -1.227 . . . . 0.0 109.136 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -97.59 71.07 2.27 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.144 -1.022 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.1 16.32 1.77 Allowed Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p -111.03 26.1 11.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.51 -0.994 . . . . 0.0 110.094 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 18.1 t80 -90.67 146.73 23.78 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.628 -1.295 . . . . 0.0 109.589 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.576 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -139.11 131.66 28.75 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -68.52 -33.03 73.42 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.241 . . . . 0.0 108.887 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -78.15 -50.73 11.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.486 -0.759 . . . . 0.0 110.575 -179.779 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.67 -48.76 71.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.086 -1.009 . . . . 0.0 110.023 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 38.6 t80 -54.08 -70.27 0.1 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.459 -0.775 . . . . 0.0 110.269 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -56.55 -32.65 65.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 27' ' ' LYS . . . -56.72 -53.58 56.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.997 . . . . 0.0 109.488 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -37.02 85.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.7 t -47.08 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 144.87 -35.88 1.46 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' GLY . 32.2 tp -40.96 -27.08 0.05 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.535 -0.98 . . . . 0.0 110.399 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -43.52 -63.74 0.78 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.129 -0.982 . . . . 0.0 110.093 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.06 45.41 0.96 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.61 -69.73 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.022 -1.049 . . . . 0.0 109.374 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 41' ' ' ASN . 5.2 p 175.46 112.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.271 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.81 -30.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.747 -0.596 . . . . 0.0 111.434 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.9 t30 -76.62 -59.07 2.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.816 -1.178 . . . . 0.0 109.969 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -70.31 -3.1 15.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.035 -1.041 . . . . 0.0 109.637 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.4 t -90.55 -43.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -61.63 -23.98 66.41 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -78.27 -32.09 49.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.43 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -64.42 -50.47 67.46 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -42.46 -28.72 0.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.21 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -86.47 -40.39 15.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.433 -0.792 . . . . 0.0 109.196 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' PHE . 42.2 mm -51.16 -36.74 16.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.78 66.42 9.62 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 53.31 0.83 Allowed 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.794 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -150.89 -90.2 0.06 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 178.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 53' ' ' ASP . . . 169.05 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.198 -0.939 . . . . 0.0 111.366 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.615 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 91.4 p -146.24 33.22 0.99 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.722 -1.236 . . . . 0.0 109.515 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 30.5 36.52 0.02 OUTLIER Glycine 0 N--CA 1.5 2.924 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.3 m-85 -149.8 144.17 25.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -1.186 . . . . 0.0 110.687 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 50' ' ' ILE . 9.3 mm -90.21 107.08 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.68 162.51 16.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.823 -1.173 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.95 -37.43 20.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.498 -0.752 . . . . 0.0 109.747 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.12 -36.4 83.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 110.357 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 66' ' ' VAL . 57.8 mm-40 -71.62 -29.03 64.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.054 -1.029 . . . . 0.0 108.241 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.68 -34.88 79.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -68.15 -49.13 62.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.239 -0.913 . . . . 0.0 109.361 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.8 m-85 -98.24 12.78 33.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.235 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 p -37.91 -27.22 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.72 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -100.59 42.17 1.13 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.712 -1.242 . . . . 0.0 109.403 -179.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.24 -27.11 13.67 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 m -78.23 -24.89 46.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 19.1 m-85 -90.65 -11.55 39.49 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -178.77 111.79 0.06 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -39.35 -38.08 0.51 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.421 -0.8 . . . . 0.0 109.663 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -138.01 58.47 1.68 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.69 -88.44 1.19 Allowed Glycine 0 N--CA 1.484 1.864 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 81' ' ' GLU . 27.9 tpt85 -91.63 112.16 23.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.525 -0.985 . . . . 0.0 110.18 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.49 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 30.2 t70 -96.46 112.55 24.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.574 ' CD1' ' CB ' ' A' ' 81' ' ' GLU . 2.6 mm? -54.86 142.64 28.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.757 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.657 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -91.72 -20.87 21.1 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.893 . . . . 0.0 110.147 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.657 ' CB ' ' O ' ' A' ' 78' ' ' THR . 17.3 t70 124.97 -61.62 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.17 84.05 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.574 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . 51.1 mt-10 -64.04 -25.24 68.02 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.924 0.868 . . . . 0.0 109.522 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.429 ' OG1' ' CG ' ' A' ' 77' ' ' LEU . 10.2 m -84.6 -23.17 29.7 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.49 -12.2 59.57 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.64 -50.41 6.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -47.09 81.97 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.04 -40.67 91.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.478 -0.764 . . . . 0.0 110.266 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.33 2.81 17.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.103 -0.998 . . . . 0.0 110.194 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.24 -17.38 8.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.135 -0.978 . . . . 0.0 108.994 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.53 -24.41 14.47 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.338 -0.851 . . . . 0.0 109.791 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -93.92 179.01 5.48 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.069 -1.02 . . . . 0.0 109.468 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.08 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 92' ' ' ASP . 35.5 p-10 -63.51 -11.6 25.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.903 . . . . 0.0 109.5 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.14 27.13 45.99 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -95.53 -12.12 26.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.225 -1.162 . . . . 0.0 110.025 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.31 23.82 68.57 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -147.21 133.84 19.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -1.104 . . . . 0.0 109.072 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.3 mp -107.65 97.16 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.68 -157.77 1.76 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.7 mm -74.34 -74.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.98 -1.306 . . . . 0.0 110.006 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -39.11 -35.6 0.24 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.918 -1.114 . . . . 0.0 110.358 -178.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.03 -44.79 62.83 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 99' ' ' ILE . 60.1 t80 -71.23 -54.61 10.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.644 -0.66 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.31 -23.02 62.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.776 -1.202 . . . . 0.0 109.679 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.521 ' O ' ' CG ' ' A' ' 108' ' ' GLU . 1.3 m -79.8 -29.07 40.19 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -79.34 -33.91 42.62 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.51 -44.64 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.703 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 6.5 m80 -60.29 -33.69 72.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.102 -0.999 . . . . 0.0 108.885 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 104' ' ' THR . 6.1 mm-40 -77.36 -35.64 54.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.366 -0.833 . . . . 0.0 109.352 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.422 -179.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -29.58 18.05 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.257 -0.902 . . . . 0.0 109.465 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.1 -15.39 62.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tt -94.41 7.71 44.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.49 -171.19 2.0 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.222 -0.924 . . . . 0.0 109.618 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -104.51 0.76 29.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.681 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 84.4 -60.55 0.1 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 0.0 109.424 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -61.58 -23.93 66.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.48 -0.762 . . . . 0.0 109.545 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.53 -27.54 62.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.045 -1.034 . . . . 0.0 108.96 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mt -79.67 -29.2 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.296 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -86.22 -8.67 57.61 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 109.735 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.29 65.39 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.355 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.78 -34.84 75.09 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.451 -0.781 . . . . 0.0 109.232 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -70.92 -20.97 62.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.139 -0.975 . . . . 0.0 109.899 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.98 -22.19 20.94 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.254 -0.904 . . . . 0.0 109.62 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 20' ' ' ALA . 33.2 m -103.4 -23.32 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 118.782 -1.167 . . . . 0.0 112.058 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -33.61 -29.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.613 -0.68 . . . . 0.0 111.601 -178.121 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -48.58 174.7 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.89 -1.131 . . . . 0.0 109.104 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -97.95 70.24 2.12 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.86 18.14 2.68 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.527 ' OG ' ' CB ' ' A' ' 20' ' ' ALA . 93.1 p -101.95 14.66 31.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.531 -0.982 . . . . 0.0 111.049 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CE2' ' CD1' ' A' ' 29' ' ' PHE . 34.0 t80 -81.59 134.37 35.49 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.531 -1.356 . . . . 0.0 109.858 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -133.85 99.61 4.5 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.485 ' C ' ' O ' ' A' ' 25' ' ' ASN . 19.7 p-80 -37.05 -29.43 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 110.669 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.9 mtpm? -76.86 -56.64 4.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.21 -0.931 . . . . 0.0 110.892 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -66.82 -49.71 64.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.112 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CD1' ' CE2' ' A' ' 24' ' ' PHE . 72.0 t80 -48.7 -63.89 0.96 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 110.228 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.96 -32.67 74.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.465 -0.772 . . . . 0.0 110.794 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -34.98 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.134 -0.979 . . . . 0.0 109.873 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mt -80.42 -52.62 7.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 0.0 110.414 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 p -47.32 -42.69 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.005 -1.059 . . . . 0.0 110.305 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 130.73 -23.51 4.45 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.543 -1.348 . . . . 0.0 110.104 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -42.55 -31.1 0.4 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -1.148 . . . . 0.0 110.17 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.61 -50.84 71.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 110.025 -179.39 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.44 23.55 8.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 110.769 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -176.87 2.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.133 . . . . 0.0 109.177 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 41' ' ' ASN . 86.5 p -97.92 122.13 40.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.43 -29.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.708 -0.62 . . . . 0.0 111.394 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -73.01 -56.79 4.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.738 -1.226 . . . . 0.0 108.031 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.69 0.74 9.9 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.965 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.491 ' CG2' ' NE2' ' A' ' 107' ' ' HIS . 58.8 t -92.34 -47.33 14.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -65.44 -21.82 66.7 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.32 -1.734 . . . . 0.0 106.32 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.5 -31.58 37.18 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 t -66.04 -38.53 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.4 t80 -65.92 -51.69 56.41 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.067 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -44.88 -29.09 0.74 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.404 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -81.4 -41.98 21.1 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' PHE . 44.4 mm -50.71 -32.78 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 57' ' ' PHE . 16.3 t70 -79.43 74.81 6.04 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.52 50.61 0.82 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.035 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -151.54 -94.53 0.06 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 173.98 56.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 110.644 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.0 p -147.32 35.14 0.88 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.034 -1.041 . . . . 0.0 109.21 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 31.91 35.56 0.02 OUTLIER Glycine 0 N--CA 1.498 2.789 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 m-85 -148.11 148.97 31.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -1.141 . . . . 0.0 110.754 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.408 ' CG2' ' CG2' ' A' ' 50' ' ' ILE . 7.9 mm -89.79 111.53 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.59 153.45 21.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.908 -1.12 . . . . 0.0 109.781 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.88 -47.08 64.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 0.0 109.805 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.23 -29.07 68.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 110.248 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 53' ' ' ASP . 21.8 mm-40 -75.16 -35.96 61.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 108.619 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.43 -40.75 71.92 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.251 0.548 . . . . 0.0 109.962 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -49.09 59.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.038 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -89.34 21.72 3.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.572 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.7 p -78.72 22.89 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.088 -1.007 . . . . 0.0 111.194 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.0 mt -122.27 16.92 10.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.497 -1.377 . . . . 0.0 109.854 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -32.65 18.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 108.737 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.4 m -85.39 -23.07 28.1 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -99.24 -19.55 17.04 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.83 119.04 9.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.58 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.862 . . . . 0.0 111.057 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -89.55 -32.52 17.11 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.767 -1.208 . . . . 0.0 109.983 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.18 79.5 0.53 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -57.82 90.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -1.048 . . . . 0.0 110.009 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -48.07 128.86 14.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.981 -1.074 . . . . 0.0 108.855 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.35 176.53 1.36 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.2 m -95.38 -6.32 41.27 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.315 -0.866 . . . . 0.0 109.671 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.9 t0 105.02 -61.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.14 73.85 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -63.54 -31.5 72.68 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.975 0.893 . . . . 0.0 109.063 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.4 m -78.83 -25.46 44.12 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -6.98 59.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.4 -47.51 7.69 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -49.34 72.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.92 -41.51 95.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.472 -0.768 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 6.01 11.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.871 -1.143 . . . . 0.0 110.291 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' CB ' ' CE1' ' A' ' 26' ' ' HIS . . . -116.67 -23.07 8.33 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.967 -1.083 . . . . 0.0 108.804 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' CD1' ' A' ' 97' ' ' ILE . . . -119.79 14.16 12.48 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.464 -0.773 . . . . 0.0 109.385 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.456 ' OD1' ' OD1' ' A' ' 94' ' ' ASP . 10.1 t0 -138.74 83.2 1.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.33 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.13 59.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 0.0 109.683 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 94' ' ' ASP . 2.6 p30 -76.54 -12.21 59.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.628 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.05 59.13 10.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.456 ' OD1' ' OD1' ' A' ' 90' ' ' ASP . 15.6 p-10 -112.86 10.28 19.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -1.186 . . . . 0.0 109.898 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 56.63 27.23 54.58 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -150.33 115.64 5.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.017 -1.284 . . . . 0.0 109.532 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 89' ' ' ALA . 22.7 mm -99.25 105.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.466 -0.771 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.64 -169.73 33.6 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 13.0 mm -69.32 -73.56 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.201 -1.176 . . . . 0.0 110.495 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.8 m-20 -37.83 -38.49 0.3 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.038 -1.039 . . . . 0.0 110.558 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -46.81 70.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.932 -1.105 . . . . 0.0 108.022 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 99' ' ' ILE . 36.7 t80 -68.05 -55.8 11.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.819 -0.551 . . . . 0.0 111.492 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 27.1 tt0 -66.64 -8.5 27.9 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.572 -1.33 . . . . 0.0 110.195 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 2.6 m -90.69 -49.51 6.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.139 -0.976 . . . . 0.0 108.582 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.5 -12.58 59.52 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.238 -0.914 . . . . 0.0 109.936 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.8 t -90.28 -35.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.246 -0.909 . . . . 0.0 109.22 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.491 ' NE2' ' CG2' ' A' ' 43' ' ' VAL . 12.5 m170 -81.58 -32.7 32.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.336 -0.853 . . . . 0.0 109.404 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.414 ' O ' ' OXT' ' A' ' 109' ' ' ALA . 7.1 mm-40 -94.94 37.74 1.14 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.233 -0.917 . . . . 0.0 109.476 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.414 ' OXT' ' O ' ' A' ' 108' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.471 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -75.71 -34.37 60.36 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.322 -0.861 . . . . 0.0 108.946 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -88.61 -2.93 58.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.437 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.11 8.51 43.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.13 -167.74 1.86 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.75 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 1.2 tttm -86.46 -12.34 49.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 0.0 109.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 84.15 -62.85 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.437 0.637 . . . . 0.0 109.737 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.92 -32.24 73.49 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.386 -0.821 . . . . 0.0 110.026 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 40.4 m-20 -63.93 -33.42 75.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.925 -1.11 . . . . 0.0 108.97 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.43 -31.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -75.99 -8.7 57.56 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 0.0 109.146 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -45.7 11.2 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.516 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -70.1 -48.5 57.39 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.298 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.3 -32.05 69.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.064 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -77.04 -23.56 52.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 110.118 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -17.59 25.44 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.981 -1.075 . . . . 0.0 109.383 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 20' ' ' ALA . 31.4 m -110.53 -20.95 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.871 -1.143 . . . . 0.0 111.32 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -35.74 -28.38 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.388 -0.82 . . . . 0.0 111.178 -178.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -45.56 173.33 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.09 -1.006 . . . . 0.0 109.854 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.66 70.47 3.02 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.325 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.91 15.02 3.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.495 ' OG ' ' CB ' ' A' ' 20' ' ' ALA . 88.8 p -98.53 9.6 42.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.491 -1.005 . . . . 0.0 111.24 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 20.5 t80 -92.19 134.99 34.35 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.469 -1.394 . . . . 0.0 110.097 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.472 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -116.22 -91.32 0.53 Allowed 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.112 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 173.01 -31.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -82.69 -51.29 7.86 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.388 -0.82 . . . . 0.0 110.313 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.69 -31.89 71.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.944 -179.002 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CD1' ' CB ' ' A' ' 14' ' ' ALA . 80.9 t80 -68.59 -68.15 0.42 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.097 -1.002 . . . . 0.0 109.478 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -53.26 -29.93 35.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 110.248 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.94 64.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.766 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 1.3 mt -74.44 -1.9 23.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.964 . . . . 0.0 110.353 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 89.7 t -84.13 -61.37 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.868 -1.145 . . . . 0.0 109.887 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.75 -35.03 1.12 Allowed Glycine 0 N--CA 1.49 2.234 0 C-N-CA 119.56 -1.305 . . . . 0.0 109.949 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.6 -9.79 6.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.041 -1.27 . . . . 0.0 110.637 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.5 -22.15 7.58 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.904 -1.123 . . . . 0.0 109.197 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.57 58.84 0.27 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 0.0 109.641 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.424 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -88.1 -64.71 1.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 109.299 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.2 p 170.37 122.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 109.547 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.13 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.715 -0.616 . . . . 0.0 111.146 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.0 t30 -75.6 -52.03 11.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.947 -1.096 . . . . 0.0 109.549 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.22 -0.79 17.98 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.186 -0.946 . . . . 0.0 109.087 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.06 -45.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -21.77 66.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.54 -29.87 37.15 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.4 t -70.44 -47.5 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.656 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.2 t80 -60.55 -50.86 71.87 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -28.58 2.36 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.4 -38.7 29.78 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' A' ' 52' ' ' ALA . 25.4 mm -58.87 -32.12 46.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 27.4 t0 -51.49 85.99 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.874 0.845 . . . . 0.0 109.111 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -66.98 -54.46 21.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.909 -0.495 . . . . 0.0 111.671 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' OD2' ' OE1' ' A' ' 59' ' ' GLU . 2.2 p30 -89.0 26.89 1.45 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.67 -1.269 . . . . 0.0 110.64 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . 48.01 35.91 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.273 -0.892 . . . . 0.0 111.425 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -107.94 30.13 6.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.572 -1.33 . . . . 0.0 108.804 179.141 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 41.53 37.73 1.92 Allowed Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.7 m-85 -150.47 145.76 26.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -1.084 . . . . 0.0 110.023 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.639 ' CG1' ' CE2' ' A' ' 47' ' ' PHE . 1.8 mm -101.06 96.25 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' OE1' ' OD2' ' A' ' 53' ' ' ASP . 3.3 mt-10 -89.54 171.74 9.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.167 -0.958 . . . . 0.0 110.531 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.518 ' CG ' ' CD1' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -54.45 -41.2 69.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.669 -0.645 . . . . 0.0 110.336 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -27.94 69.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.069 -1.019 . . . . 0.0 109.967 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' VAL . 15.6 mt-10 -76.2 -46.79 26.7 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 88.8 mt -44.66 -43.14 8.09 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -69.99 -38.82 76.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 108.856 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -94.9 20.25 9.12 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.311 -0.868 . . . . 0.0 109.619 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 63' ' ' LEU . 10.0 p -86.26 44.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 0.0 108.558 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -132.78 -56.44 0.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.648 -0.657 . . . . 0.0 109.874 -179.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -34.64 -32.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.504 -0.747 . . . . 0.0 110.967 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -43.23 -51.17 6.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.151 -0.968 . . . . 0.0 109.591 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -88.04 -31.04 19.5 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -145.57 103.86 3.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.73 -1.231 . . . . 0.0 110.648 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -39.59 -35.14 0.28 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.395 -0.816 . . . . 0.0 110.418 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -139.15 58.3 1.64 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.56 -90.88 1.4 Allowed Glycine 0 N--CA 1.479 1.562 0 C-N-CA 120.091 -1.052 . . . . 0.0 110.643 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -92.32 -68.58 0.79 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.478 -1.013 . . . . 0.0 111.302 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 33.3 t0 80.04 95.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.82 157.3 33.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 110.729 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 p -104.77 173.2 6.41 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.5 -46.39 38.25 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 121.513 -0.742 . . . . 0.0 110.507 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.56 85.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.932 -1.105 . . . . 0.0 109.381 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.19 -30.34 64.45 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.101 0.953 . . . . 0.0 109.948 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 m -86.63 -22.33 26.24 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.334 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -77.65 -14.1 59.72 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.52 6.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.194 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.518 ' CD1' ' CG ' ' A' ' 60' ' ' GLU . 21.2 tp -64.29 -46.06 85.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.655 -0.653 . . . . 0.0 111.196 -178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.483 ' CD ' ' O ' ' A' ' 83' ' ' LYS . 20.7 ptmt -78.8 -12.32 60.02 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.82 -1.175 . . . . 0.0 111.015 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.85 -6.39 15.25 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.847 -1.158 . . . . 0.0 108.85 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -101.11 -31.07 11.23 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.344 -0.848 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 92' ' ' ASP . 3.3 t0 -98.9 118.53 35.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.118 -0.989 . . . . 0.0 109.137 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -79.12 -44.52 21.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.129 -0.982 . . . . 0.0 109.656 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 90' ' ' ASP . 43.6 p-10 -92.02 3.71 54.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.302 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.31 56.02 11.59 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.483 ' OD2' ' CG ' ' A' ' 96' ' ' LYS . 7.9 p-10 -89.09 -28.84 19.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.343 -1.092 . . . . 0.0 109.193 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.26 -5.45 13.33 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.86 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.483 ' CG ' ' OD2' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -149.99 137.24 19.68 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.698 -1.472 . . . . 0.0 110.774 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.2 mm -102.73 100.19 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.17 -168.07 5.53 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.656 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.9 mm -71.38 -69.29 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.241 -1.152 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 99' ' ' ILE . 12.8 t0 -39.15 -35.72 0.26 Allowed 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.899 -1.126 . . . . 0.0 110.713 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -41.55 52.35 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.802 -1.186 . . . . 0.0 108.057 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 99' ' ' ILE . 38.0 t80 -70.35 -54.1 13.9 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.564 -0.71 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -27.98 67.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.334 -1.479 . . . . 0.0 109.25 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.3 m -79.57 -24.65 41.93 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' VAL . 2.3 tt -82.66 -66.59 0.87 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 105' ' ' LEU . 2.7 t -40.78 -41.6 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.632 -0.667 . . . . 0.0 109.415 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.23 -71.06 0.21 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.28 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.72 -70.7 0.11 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 109.321 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.424 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -16.7 60.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.533 -0.729 . . . . 0.0 110.267 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -80.79 -25.51 37.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.053 -1.029 . . . . 0.0 111.081 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.9 tp -89.04 -45.06 9.93 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.888 -1.132 . . . . 0.0 109.105 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.583 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 1.5 pt? -153.08 -164.22 1.88 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.396 -0.815 . . . . 0.0 109.274 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 1.9 mptt 133.21 58.23 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 123.287 0.635 . . . . 0.0 109.657 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.87 -110.24 0.08 Allowed 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.08 -1.013 . . . . 0.0 110.424 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.43 -22.92 66.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.848 -1.158 . . . . 0.0 110.19 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.39 -27.72 59.2 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.977 -1.077 . . . . 0.0 109.191 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.622 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.5 mp -91.15 -15.17 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.435 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -81.64 -29.29 33.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -87.51 -42.15 12.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.232 -0.917 . . . . 0.0 108.617 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' CB ' ' CE1' ' A' ' 29' ' ' PHE . . . -64.73 -54.19 35.35 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.295 -0.878 . . . . 0.0 110.236 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' LYS . 12.5 mt -60.86 -40.73 94.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.63 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.03 -21.18 66.8 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 108.876 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.26 -19.11 30.42 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 27.7 m -139.55 37.06 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.341 -0.849 . . . . 0.0 111.281 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -82.37 -11.83 58.33 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.341 -1.475 . . . . 0.0 111.673 -178.438 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.13 176.39 3.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.703 -1.248 . . . . 0.0 110.172 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -95.81 71.69 3.01 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.186 0.993 . . . . 0.0 109.017 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.8 17.05 1.55 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 108.982 -1.647 . . . . 0.0 108.982 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.9 p -108.9 27.31 9.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.516 -0.991 . . . . 0.0 110.193 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 28.1 t80 -89.31 143.77 26.58 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 120.666 -1.271 . . . . 0.0 110.928 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.541 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 59.1 m-80 -135.89 121.5 19.55 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -64.26 -29.53 70.62 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.706 -1.246 . . . . 0.0 110.083 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -80.65 -56.71 3.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 111.315 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -67.48 -41.88 83.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.879 -1.138 . . . . 0.0 109.799 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CG ' ' CE2' ' A' ' 24' ' ' PHE . 75.5 t80 -55.64 -62.59 1.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.432 -0.793 . . . . 0.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -64.34 -37.04 86.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 0.0 110.39 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.98 -42.69 63.15 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.104 -0.997 . . . . 0.0 108.684 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' VAL . 12.7 mt -72.23 -51.06 22.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.48 -0.763 . . . . 0.0 109.482 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 32' ' ' LEU . 60.9 t -40.39 -57.93 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.443 -0.785 . . . . 0.0 109.838 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.83 -20.03 5.47 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.31 -11.6 6.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.128 -1.219 . . . . 0.0 110.514 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.46 ' CE ' ' O ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -75.16 1.14 14.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.903 -1.123 . . . . 0.0 109.984 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -168.07 45.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.67 -57.47 2.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.279 -0.888 . . . . 0.0 109.596 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.8 OUTLIER 165.96 116.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.664 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' CB ' ' OE2' ' A' ' 103' ' ' GLU . . . -35.45 -29.78 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.711 -0.618 . . . . 0.0 111.164 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.6 t30 -74.66 -53.34 9.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.797 -1.189 . . . . 0.0 109.129 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.59 -1.37 15.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.285 -0.884 . . . . 0.0 109.196 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -92.56 -45.44 14.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -22.83 66.35 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -30.86 48.2 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.5 t -69.38 -46.38 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.491 -1.283 . . . . 0.0 108.041 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.681 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.1 t80 -59.4 -52.37 65.9 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.385 0.612 . . . . 0.0 109.48 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -47.95 -26.18 1.64 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -87.84 -34.78 18.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.583 -0.698 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 58' ' ' ILE . 22.1 mm -54.17 -36.86 33.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 5.3 t0 -73.81 76.76 1.6 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . . . -79.43 49.76 1.03 Allowed 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.075 0.464 . . . . 0.0 111.166 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -151.39 -92.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 175.09 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.201 -0.937 . . . . 0.0 110.675 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.5 p -143.28 32.86 1.33 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.793 -1.192 . . . . 0.0 109.525 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 35.33 31.34 0.02 OUTLIER Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 29.5 m-85 -148.25 156.76 42.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -1.172 . . . . 0.0 110.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.677 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 1.5 mp -105.31 101.72 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.25 167.09 13.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.965 -1.084 . . . . 0.0 110.502 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -46.92 -37.5 9.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.584 -0.698 . . . . 0.0 109.618 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -42.6 99.0 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.307 -0.871 . . . . 0.0 110.066 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' OE1' ' CB ' ' A' ' 52' ' ' ALA . 61.0 mm-40 -71.91 -22.08 61.54 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.06 -17.88 60.9 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -89.37 -30.46 18.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.0 108.979 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' LEU . 3.3 m-85 -94.78 -9.01 35.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.801 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.459 ' CG1' ' CD2' ' A' ' 67' ' ' LEU . 2.9 p -39.11 -25.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.219 -0.925 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 2.0 mm? -86.66 -43.44 12.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.605 -1.31 . . . . 0.0 108.067 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' PHE . 6.3 ttpt -53.57 -28.1 30.11 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.401 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -73.38 -30.15 63.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.868 -1.145 . . . . 0.0 109.942 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 5.7 m-30 -93.47 -17.83 23.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.181 -0.949 . . . . 0.0 110.982 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.633 ' O ' ' CB ' ' A' ' 72' ' ' ALA . . . -132.12 -34.09 1.28 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.725 -1.235 . . . . 0.0 110.359 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.633 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . 98.59 -44.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.62 36.13 0.57 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.24 -78.61 0.96 Allowed Glycine 0 N--CA 1.486 1.97 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.325 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.538 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 9.3 mmm-85 -90.59 -70.16 0.69 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -1.213 . . . . 0.0 111.566 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 5.3 t70 80.47 96.16 0.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' CG ' ' OG1' ' A' ' 82' ' ' THR . 3.6 mm? -37.58 153.97 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.538 0.685 . . . . 0.0 110.846 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.619 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -98.87 -23.5 15.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.522 -0.736 . . . . 0.0 110.222 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.619 ' CB ' ' O ' ' A' ' 78' ' ' THR . 87.0 m-20 124.76 -61.22 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 104.705 -2.332 . . . . 0.0 104.705 -177.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.36 90.82 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.522 ' OE1' ' NH1' ' A' ' 75' ' ' ARG . 26.3 mt-10 -61.85 -35.63 78.84 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.956 0.884 . . . . 0.0 108.839 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.5 ' OG1' ' CG ' ' A' ' 77' ' ' LEU . 6.8 m -75.02 -22.29 58.56 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -9.33 59.79 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.7 -47.46 8.23 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.541 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.43 81.79 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.56 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.526 -0.734 . . . . 0.0 110.485 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 9.57 13.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.056 -1.028 . . . . 0.0 110.355 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.35 -20.44 9.13 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.16 -31.3 6.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.511 -0.743 . . . . 0.0 110.937 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -86.18 99.17 11.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.733 -1.229 . . . . 0.0 109.4 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.98 -50.53 11.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -74.39 -7.3 52.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.457 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 53.66 56.46 20.14 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.9 -26.63 20.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.146 . . . . 0.0 109.463 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.63 -18.5 17.28 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 133.1 45.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.267 . . . . 0.0 110.079 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.468 ' O ' ' CE2' ' A' ' 47' ' ' PHE . 46.7 mm -92.73 105.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CE2' ' A' ' 47' ' ' PHE . . . -78.71 -175.21 45.75 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.681 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.2 mm -68.11 -70.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.219 -1.165 . . . . 0.0 110.423 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 99' ' ' ILE . 29.6 m-20 -39.14 -37.06 0.36 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.884 -1.135 . . . . 0.0 110.618 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -44.16 64.1 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 99' ' ' ILE . 10.4 t80 -67.77 -59.44 3.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.739 -0.6 . . . . 0.0 110.822 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 40' ' ' ALA . 69.8 tt0 -58.83 -16.99 19.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.581 -1.324 . . . . 0.0 110.376 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 m -86.2 -38.09 18.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.208 -0.932 . . . . 0.0 109.154 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -78.18 -53.66 7.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 109.793 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.94 -40.87 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.883 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -65.87 -35.57 81.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.032 -1.043 . . . . 0.0 109.914 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -88.24 -4.22 58.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.803 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.667 -179.81 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -39.39 22.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.372 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 1.0 OUTLIER -64.63 -19.19 65.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.238 -0.914 . . . . 0.0 109.064 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.521 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -105.38 37.33 2.23 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.368 -0.832 . . . . 0.0 109.253 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -133.27 -169.28 2.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.487 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -104.28 -9.37 18.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.504 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 79.89 -75.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.472 -0.768 . . . . 0.0 109.543 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.37 -20.9 63.53 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.259 -0.9 . . . . 0.0 109.56 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.437 ' OD2' ' O ' ' A' ' 33' ' ' VAL . 45.2 m-20 -71.51 -29.86 65.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.193 -0.942 . . . . 0.0 109.506 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mt -84.61 -26.67 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.542 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -13.38 57.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.66 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -46.02 8.41 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.296 -0.878 . . . . 0.0 108.826 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.47 ' CB ' ' CE1' ' A' ' 29' ' ' PHE . . . -69.34 -40.19 77.71 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.294 -0.879 . . . . 0.0 109.951 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.33 -35.53 68.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.254 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.52 -20.13 63.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.083 -1.011 . . . . 0.0 109.586 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.21 -17.01 26.74 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.45 -0.782 . . . . 0.0 109.422 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' ALA . 29.8 m -116.72 -10.63 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.235 -1.386 . . . . 0.0 112.925 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -36.04 -32.5 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.929 -1.107 . . . . 0.0 111.143 -178.59 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -49.05 175.75 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 109.665 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -102.9 68.78 1.02 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.173 0.987 . . . . 0.0 109.024 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.84 13.82 1.55 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 p -89.78 5.48 45.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.393 -1.063 . . . . 0.0 110.736 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.422 ' CE1' ' CG ' ' A' ' 29' ' ' PHE . 12.1 t80 -77.06 157.7 30.95 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.655 -1.278 . . . . 0.0 110.292 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -144.13 -33.68 0.4 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.589 -0.694 . . . . 0.0 109.611 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.592 ' ND1' ' CB ' ' A' ' 88' ' ' ALA . 1.2 p-80 100.68 -39.82 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 3.2 mttm -87.56 -41.66 13.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.325 -0.86 . . . . 0.0 108.854 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -32.63 66.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.539 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CE1' ' CB ' ' A' ' 14' ' ' ALA . 88.0 t80 -71.25 -65.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.199 -0.938 . . . . 0.0 109.832 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -60.37 -31.41 70.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.317 -0.865 . . . . 0.0 110.372 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 27' ' ' LYS . . . -58.54 -42.94 89.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.069 -1.019 . . . . 0.0 110.126 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' VAL . 2.3 mt -74.66 -60.83 2.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.02 -1.05 . . . . 0.0 110.123 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' ' N ' ' A' ' 34' ' ' GLY . 5.0 p -41.78 -45.88 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.535 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . 107.32 39.77 1.89 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.8 tp -95.95 14.29 24.07 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.051 -1.264 . . . . 0.0 108.699 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.75 4.23 52.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 110.806 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -177.01 39.5 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.626 -1.296 . . . . 0.0 110.7 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' ' OG ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -93.39 71.91 4.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.893 -1.129 . . . . 0.0 109.501 179.478 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 38' ' ' MET . 0.8 OUTLIER 51.79 90.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.424 -0.797 . . . . 0.0 110.237 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -38.23 -40.37 0.51 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.452 -0.78 . . . . 0.0 110.695 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -50.76 69.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 109.154 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.38 -7.7 27.05 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 108.9 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.1 t -86.39 -40.54 14.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -28.58 65.83 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -74.41 -34.04 63.16 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.91 -45.04 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.667 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.6 t80 -60.93 -51.54 68.86 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -40.95 -32.24 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -81.03 -42.15 21.54 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 47' ' ' PHE . 35.1 mm -54.73 -27.0 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.121 -0.987 . . . . 0.0 109.444 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 57' ' ' PHE . 13.6 t70 -84.54 49.91 1.79 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.85 0.833 . . . . 0.0 108.888 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . -29.37 -47.4 0.06 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.1 p30 -86.8 38.04 0.78 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.387 -1.446 . . . . 0.0 111.18 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . 27.77 43.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.966 -0.458 . . . . 0.0 111.857 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 27.6 p -98.61 17.34 19.38 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.777 -1.202 . . . . 0.0 108.114 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 57.54 16.28 21.37 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 48.9 m-85 -149.0 149.18 30.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -1.128 . . . . 0.0 111.223 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.504 ' CG1' ' CE2' ' A' ' 47' ' ' PHE . 7.3 mm -88.49 108.39 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.76 160.66 17.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.921 -1.112 . . . . 0.0 110.257 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.41 -38.21 41.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.58 -34.05 76.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -71.96 -28.7 63.61 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.38 -37.85 80.81 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -44.83 95.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.826 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 67' ' ' LEU . 5.6 m-85 -99.58 6.27 45.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 109.465 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.3 p -36.68 -27.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.507 -0.746 . . . . 0.0 111.284 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -98.91 42.13 1.11 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.668 -1.27 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -101.12 -21.99 14.82 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.3 m -81.6 -19.89 40.93 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -92.97 -20.54 20.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.525 -0.734 . . . . 0.0 109.117 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.62 ' O ' ' CB ' ' A' ' 72' ' ' ALA . . . -145.59 -28.76 0.44 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.282 -0.886 . . . . 0.0 110.745 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.62 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . 93.55 -38.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.36 33.34 0.57 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.26 -76.95 0.93 Allowed Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -85.5 112.29 20.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -1.184 . . . . 0.0 110.715 -178.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' LEU . 2.9 m-20 -111.05 92.32 4.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' ASP . 6.7 mt -39.06 141.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.75 0.786 . . . . 0.0 110.75 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.639 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.13 -19.46 34.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.794 -0.566 . . . . 0.0 110.327 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' A' ' 78' ' ' THR . 12.9 t0 127.26 -61.58 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.57 72.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -67.39 -29.66 69.24 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.998 0.904 . . . . 0.0 109.009 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -76.36 -25.59 54.82 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -82.42 -13.04 57.45 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -50.44 6.01 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -45.66 89.83 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.33 -37.12 82.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.537 -0.727 . . . . 0.0 110.31 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -81.87 -9.68 59.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.938 -1.101 . . . . 0.0 110.41 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.592 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . . . -113.4 -8.23 13.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.135 -0.978 . . . . 0.0 108.625 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.78 -34.97 7.92 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.548 -0.72 . . . . 0.0 109.304 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.74 -168.6 1.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.249 -0.907 . . . . 0.0 109.145 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 tttt 172.51 -52.21 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 94' ' ' ASP . 25.2 p-10 -52.63 -21.5 4.02 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.177 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.28 23.81 42.72 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.426 -1.069 . . . . 0.0 110.426 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.436 ' CG ' ' OD2' ' A' ' 92' ' ' ASP . 17.5 p-10 -93.87 -26.78 16.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.986 -1.302 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.47 -12.9 59.93 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -120.48 125.71 48.57 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -1.153 . . . . 0.0 109.377 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.7 mp -91.96 102.1 13.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.387 -0.821 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.43 -166.36 4.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.667 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 12.4 mm -70.0 -72.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.22 -1.164 . . . . 0.0 110.064 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -38.74 -39.28 0.49 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.209 -0.932 . . . . 0.0 110.187 -178.429 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -46.06 74.96 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 99' ' ' ILE . 47.5 t80 -66.8 -57.4 7.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.722 -0.611 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 43.1 tt0 -66.81 -5.98 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.761 -1.212 . . . . 0.0 110.388 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.8 m -90.65 -55.38 3.6 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.536 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -75.14 -11.35 60.06 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.351 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 102' ' ' PHE . 51.3 t -90.02 -33.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -89.03 -15.69 33.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.245 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -107.82 27.86 8.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.505 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.445 179.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.522 ' O ' ' CB ' ' A' ' 1' ' ' ALA . . . . . . . . 0 C--O 1.216 -0.703 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 0' ' ' ACE . . . 164.13 -35.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.159 -0.963 . . . . 0.0 109.947 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.74 6.58 45.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.103 -0.998 . . . . 0.0 109.074 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 1.2 pttt -67.9 -39.44 83.6 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.243 -0.911 . . . . 0.0 108.76 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.437 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 4.7 m-20 -86.41 -12.9 47.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.843 . . . . 0.0 109.148 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.82 7.72 35.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.43 -0.794 . . . . 0.0 109.422 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.95 -167.8 1.32 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 109.481 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -99.85 -6.25 27.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.642 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 79.28 -75.75 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.851 . . . . 0.0 110.099 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.61 -25.72 62.95 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.41 -31.9 72.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.041 -1.037 . . . . 0.0 109.265 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mt -79.16 -21.32 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.436 -0.79 . . . . 0.0 109.258 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -79.45 -20.71 46.77 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.258 -0.902 . . . . 0.0 109.968 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.08 -40.71 14.43 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.042 -1.036 . . . . 0.0 109.258 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.86 -53.25 28.22 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 121.023 -1.048 . . . . 0.0 110.044 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 1.0 OUTLIER -62.23 -34.3 76.23 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.541 -0.724 . . . . 0.0 110.021 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -70.42 -19.96 62.95 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.92 -1.112 . . . . 0.0 109.73 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.22 -21.95 20.86 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.334 -0.854 . . . . 0.0 109.628 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 20' ' ' ALA . 16.7 m -109.06 -15.89 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.503 -1.279 . . . . 0.0 112.29 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.2 mttt -32.8 -31.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.336 -0.853 . . . . 0.0 111.699 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -47.06 173.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.985 -1.072 . . . . 0.0 109.403 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -99.73 69.26 1.58 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.432 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.59 12.45 1.99 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 18' ' ' VAL . 86.8 p -93.55 5.4 51.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.525 -0.986 . . . . 0.0 110.918 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 18.7 t80 -91.56 139.62 30.53 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.632 -1.293 . . . . 0.0 110.338 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.553 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 1.9 m-80 -117.7 -64.71 1.26 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.553 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 43.6 p-80 140.92 -28.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -85.28 -53.43 5.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.378 -0.826 . . . . 0.0 110.468 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -27.66 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.024 -1.048 . . . . 0.0 109.861 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 28.2 t80 -73.18 -63.71 1.13 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.175 -0.953 . . . . 0.0 110.004 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -58.34 -39.34 79.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.05 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.02 69.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.076 -1.015 . . . . 0.0 109.193 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' VAL . 2.4 mt -80.93 -63.72 1.34 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 109.562 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -43.34 -45.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 109.488 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 31.88 3.98 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.158 -1.02 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' CG ' ' CG1' ' A' ' 106' ' ' VAL . 14.5 tp -71.03 -31.0 67.36 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.814 -1.404 . . . . 0.0 109.381 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -67.86 -28.86 67.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.143 -0.973 . . . . 0.0 109.525 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.42 -33.25 71.02 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.106 -0.996 . . . . 0.0 109.483 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 tpp -54.77 167.6 0.36 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.162 -0.961 . . . . 0.0 109.485 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 40' ' ' ALA . 7.8 p -97.08 145.11 26.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.548 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.04 -40.92 0.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.647 -0.658 . . . . 0.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.98 -52.87 30.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.67 -6.02 18.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.055 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 64.7 t -88.46 -41.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -61.24 -24.03 66.07 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -80.93 -30.83 35.24 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.9 t -70.76 -38.01 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.209 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.712 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.5 t80 -68.41 -49.99 56.09 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -44.9 -31.03 1.11 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.05 -40.95 29.99 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' PHE . 31.2 mm -55.41 -33.83 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 121.074 -1.017 . . . . 0.0 108.459 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 55' ' ' SER . 25.4 t0 -60.72 83.98 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.868 0.842 . . . . 0.0 109.48 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -61.33 -49.05 78.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.911 -0.493 . . . . 0.0 111.746 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.6 p30 -88.69 29.94 0.96 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.654 -1.279 . . . . 0.0 111.216 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . 40.15 41.54 0.98 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.155 -0.965 . . . . 0.0 110.812 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.483 ' OG ' ' O ' ' A' ' 55' ' ' SER . 3.9 t -112.81 34.58 4.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.892 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 39.0 36.08 0.46 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 15.6 m-85 -150.17 153.86 37.03 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.301 -1.117 . . . . 0.0 110.825 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.629 ' CG1' ' CE2' ' A' ' 47' ' ' PHE . 1.8 mm -109.11 98.37 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -88.05 172.51 9.48 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.004 -1.06 . . . . 0.0 110.434 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -51.05 -40.05 57.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.601 -0.687 . . . . 0.0 109.905 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -61.82 -34.54 76.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.977 -1.077 . . . . 0.0 109.54 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.4 OUTLIER -63.31 -46.01 88.68 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.5 mt -50.71 -40.82 55.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -55.75 -43.69 76.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -0.831 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -112.12 25.81 11.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 0.0 109.394 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.1 p -45.33 -41.4 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.465 -0.772 . . . . 0.0 111.458 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.44 38.11 0.93 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.564 -1.335 . . . . 0.0 109.331 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.13 -38.38 20.79 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.477 -0.764 . . . . 0.0 108.992 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 m -58.32 -27.66 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.306 -0.871 . . . . 0.0 108.965 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.56 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.3 m-30 -89.11 -27.63 20.62 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -157.91 116.41 3.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.577 -0.702 . . . . 0.0 109.197 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.89 -38.19 1.49 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.431 -0.793 . . . . 0.0 109.096 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.454 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 10.2 t70 -142.79 61.85 1.41 Allowed 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.06 -86.4 0.94 Allowed Glycine 0 N--CA 1.485 1.903 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -91.4 111.73 23.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.991 . . . . 0.0 110.174 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 3.6 m-20 -90.24 105.22 17.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 108.792 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' ASP . 4.0 mm? -41.1 150.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 0.0 110.397 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -95.83 -6.54 39.2 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.472 -0.767 . . . . 0.0 109.153 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.2 t0 105.9 -62.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 105.75 -1.945 . . . . 0.0 105.75 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.96 88.99 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.72 -25.63 68.27 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.866 0.841 . . . . 0.0 109.524 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -84.43 -22.13 30.49 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -82.21 -13.62 56.82 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.43 -51.7 5.78 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -47.81 64.16 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.92 -47.9 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.568 -0.708 . . . . 0.0 110.822 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -86.69 6.45 31.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.82 -1.175 . . . . 0.0 110.944 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.51 -19.77 12.0 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.852 -1.155 . . . . 0.0 108.49 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.68 -37.35 5.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.542 -0.724 . . . . 0.0 110.081 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -66.08 91.55 0.16 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.081 -1.012 . . . . 0.0 109.669 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -51.48 11.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.92 . . . . 0.0 109.331 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -66.43 -14.07 61.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.263 -0.898 . . . . 0.0 109.472 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.52 42.77 99.83 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -95.37 -30.13 14.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -1.154 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.0 -5.37 23.87 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -138.43 127.19 23.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.121 -1.223 . . . . 0.0 109.603 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.73 100.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.406 -0.809 . . . . 0.0 109.781 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.56 -160.9 2.0 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.712 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 11.6 mm -72.18 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.977 -1.308 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 70.3 m-20 -37.24 -37.75 0.19 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.65 -47.15 64.34 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.527 ' N ' ' O ' ' A' ' 99' ' ' ILE . 59.9 t80 -66.54 -56.67 9.73 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.725 -0.61 . . . . 0.0 111.049 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -18.83 49.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.65 -1.281 . . . . 0.0 109.788 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 m -82.2 -29.18 31.58 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.31 -15.82 30.45 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.454 ' CG1' ' CG ' ' A' ' 35' ' ' LEU . 16.7 t -84.61 -29.58 6.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.42 -0.8 . . . . 0.0 109.06 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 4.5 m80 -88.0 -32.36 18.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.791 . . . . 0.0 109.577 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.02 14.18 12.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 0.0 109.36 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.424 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -179.19 50.19 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.33 12.9 26.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.247 -0.908 . . . . 0.0 109.472 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -76.18 -26.58 56.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.138 -0.976 . . . . 0.0 109.12 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.84 -10.19 15.6 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.435 -0.791 . . . . 0.0 109.447 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.441 ' CD2' ' CD2' ' A' ' 6' ' ' LEU . 6.9 tt -89.4 -43.24 11.03 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.853 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' CD2' ' CD2' ' A' ' 5' ' ' LEU . 3.4 pp -151.99 144.51 24.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.0 110.951 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.65 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 8.9 mptt 64.51 32.97 11.33 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 121.39 -0.819 . . . . 0.0 110.356 178.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.64 68.74 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.62 -34.92 23.02 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.297 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.46 -36.01 82.6 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.65 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 2.8 mt -55.38 -46.39 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.61 -34.51 26.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.779 -0.576 . . . . 0.0 110.196 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -85.08 -25.45 27.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.958 -1.089 . . . . 0.0 109.583 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 29' ' ' PHE . . . -73.09 -34.26 66.09 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.963 -1.086 . . . . 0.0 110.231 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.6 mt -74.89 -45.16 44.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.574 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -17.57 54.17 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.43 -0.794 . . . . 0.0 108.919 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.81 -30.18 26.75 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 m -132.07 29.98 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.204 -0.935 . . . . 0.0 111.678 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' LEU . 6.9 tttm -59.67 -29.54 68.13 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.518 -1.364 . . . . 0.0 111.134 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 174.07 0.12 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.897 -1.127 . . . . 0.0 109.895 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.57 69.17 1.87 Allowed 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 122.113 0.959 . . . . 0.0 109.048 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.46 9.31 1.04 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 p -89.89 10.55 23.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -1.14 . . . . 0.0 109.95 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE2' ' CG ' ' A' ' 29' ' ' PHE . 33.9 t80 -82.21 143.24 31.52 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.084 -1.01 . . . . 0.0 110.412 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 8.2 m-20 -125.46 -30.68 3.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.524 -0.735 . . . . 0.0 109.139 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CB ' ' O ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER 97.68 -39.16 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.382 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 12.1 mtpp -90.84 -37.06 13.85 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 109.131 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -35.8 55.37 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.213 -0.929 . . . . 0.0 108.797 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CG ' ' CE2' ' A' ' 24' ' ' PHE . 89.9 t80 -66.99 -60.01 3.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.475 -0.766 . . . . 0.0 109.263 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -66.32 -31.84 72.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.419 -0.801 . . . . 0.0 109.577 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 27' ' ' LYS . . . -48.66 -50.18 34.19 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.061 -1.024 . . . . 0.0 109.225 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.22 -45.54 47.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 110.127 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.544 ' CG1' ' N ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -44.27 -49.74 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.095 -1.003 . . . . 0.0 110.136 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . 104.36 27.26 6.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 35' ' ' LEU . 4.7 tp -101.94 19.05 19.12 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 120.852 -1.381 . . . . 0.0 109.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -84.03 -19.05 35.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 111.204 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.16 29.23 4.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.443 -1.41 . . . . 0.0 110.581 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.02 157.65 27.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.883 -1.136 . . . . 0.0 108.989 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.0 OUTLIER -64.82 117.68 7.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.986 . . . . 0.0 109.533 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.27 -28.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.631 -0.668 . . . . 0.0 111.297 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 t30 -74.06 -58.76 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.789 -1.194 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.34 -4.97 20.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.24 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 39' ' ' SER . 17.6 t -89.07 -43.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -24.94 66.72 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -77.96 -31.45 50.86 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.6 t -67.26 -47.41 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.0 t80 -58.49 -52.14 66.9 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -43.6 -31.49 0.76 Allowed 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 179.304 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.12 -45.22 42.45 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.535 ' CG2' ' CD1' ' A' ' 58' ' ' ILE . 41.7 mm -53.71 -32.17 20.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -61.4 83.18 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.523 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.499 ' CB ' ' CD ' ' A' ' 62' ' ' GLU . . . -44.34 -69.98 0.12 Allowed 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.532 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -89.55 22.15 3.12 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.978 -1.076 . . . . 0.0 111.185 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 48.59 59.96 4.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 110.761 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.7 p -116.1 36.03 4.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.68 22.17 1.74 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 49.6 m-85 -151.82 142.5 22.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -1.216 . . . . 0.0 110.638 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.54 ' CG1' ' CE2' ' A' ' 47' ' ' PHE . 3.6 mm -89.38 114.81 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.87 167.26 13.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.79 -1.194 . . . . 0.0 110.719 -177.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -53.79 -36.6 62.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.713 -0.617 . . . . 0.0 109.549 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -33.82 75.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 109.745 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.499 ' CD ' ' CB ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -66.73 -42.74 85.79 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' CD2' ' CD1' ' A' ' 85' ' ' PHE . 59.3 mt -54.7 -39.3 68.04 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 5.7 mttt -57.32 -41.43 79.93 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.44 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 26.5 m-85 -115.28 33.69 5.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.388 -0.82 . . . . 0.0 109.381 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PHE . 2.7 p -39.46 -32.75 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.865 . . . . 0.0 111.25 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mt -103.77 44.06 1.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.577 -1.327 . . . . 0.0 109.775 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -85.12 -40.11 17.14 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -63.69 -21.28 66.31 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -89.51 -22.63 22.34 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -164.8 117.63 1.26 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.87 -37.55 1.32 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.331 -0.856 . . . . 0.0 109.087 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -143.88 62.22 1.36 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.15 -85.08 1.21 Allowed Glycine 0 N--CA 1.486 2.013 0 C-N-CA 119.955 -1.117 . . . . 0.0 110.319 -178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.452 ' CZ ' ' OE1' ' A' ' 81' ' ' GLU . 6.0 mmm180 -90.96 112.77 24.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -1.094 . . . . 0.0 110.723 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.26 116.87 27.81 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.527 ' CG ' ' OG1' ' A' ' 82' ' ' THR . 3.1 mm? -62.7 151.67 37.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.983 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -97.09 -23.1 16.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.368 -0.833 . . . . 0.0 110.277 -179.298 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 10.2 t70 121.33 -62.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.55 87.72 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.452 ' OE1' ' CZ ' ' A' ' 75' ' ' ARG . 31.4 tt0 -61.03 -36.47 79.63 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.094 0.95 . . . . 0.0 108.576 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.527 ' OG1' ' CG ' ' A' ' 77' ' ' LEU . 21.0 m -77.84 -20.65 52.73 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -77.97 -10.89 59.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.79 -50.25 6.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.448 ' CD1' ' CD2' ' A' ' 63' ' ' LEU . 1.3 t80 -58.93 -47.82 83.68 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.48 -42.76 99.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.571 -0.706 . . . . 0.0 110.112 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.18 4.7 16.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.104 -0.997 . . . . 0.0 110.107 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.82 -15.9 8.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.106 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.58 15.43 7.6 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.545 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -132.86 63.64 1.63 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.937 . . . . 0.0 109.238 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.34 -44.22 83.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.299 -0.876 . . . . 0.0 109.713 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' ' OD1' ' A' ' 94' ' ' ASP . 44.0 p-10 -63.34 -14.98 55.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.192 -0.943 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.07 40.06 98.43 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' OD1' ' OD2' ' A' ' 92' ' ' ASP . 9.4 p-10 -96.68 -7.24 34.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -1.167 . . . . 0.0 109.771 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.56 15.52 80.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.33 124.64 10.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -1.169 . . . . 0.0 109.767 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.35 101.63 12.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 0.0 109.06 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.96 -165.42 3.97 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 9.5 mm -72.01 -72.24 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.281 -1.129 . . . . 0.0 109.762 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.505 ' C ' ' O ' ' A' ' 99' ' ' ILE . 19.8 p-10 -37.53 -36.87 0.18 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.999 -1.063 . . . . 0.0 110.619 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -44.99 60.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.896 -1.127 . . . . 0.0 107.985 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 99' ' ' ILE . 47.0 t80 -67.69 -52.94 31.95 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.79 -0.569 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.639 ' CG ' ' CE1' ' A' ' 107' ' ' HIS . 31.0 tt0 -70.05 -9.69 56.2 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.659 -1.276 . . . . 0.0 110.589 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.438 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 2.0 m -90.41 -56.28 3.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.628 -1.295 . . . . 0.0 108.197 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -44.19 91.62 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.973 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.43 -41.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.445 -0.784 . . . . 0.0 108.891 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.639 ' CE1' ' CG ' ' A' ' 103' ' ' GLU . 28.7 m170 -74.16 -16.77 60.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.528 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -100.39 39.87 1.31 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.426 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -160.78 37.17 0.15 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.257 -0.902 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.53 16.68 20.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.332 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -89.98 -10.3 45.51 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.281 -0.887 . . . . 0.0 109.735 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.49 -23.11 65.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.4 tp -89.34 -41.13 12.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 108.709 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 pp -146.03 137.83 25.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.15 37.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.92 -1.113 . . . . 0.0 110.156 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.86 -122.26 0.06 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.992 -1.067 . . . . 0.0 110.205 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -60.64 -14.33 19.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.768 -1.207 . . . . 0.0 109.643 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -75.15 -32.09 61.21 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.304 -0.873 . . . . 0.0 109.363 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.592 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 2.5 mp -91.3 -21.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.687 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -82.23 -22.82 35.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.828 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -90.67 -48.22 7.19 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.165 -0.959 . . . . 0.0 108.82 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.46 90.02 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.324 -0.86 . . . . 0.0 110.21 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 19' ' ' LYS . 3.3 mm? -67.61 -45.39 75.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 0.0 109.442 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.72 -18.32 63.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.11 -0.993 . . . . 0.0 108.964 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.29 -25.83 31.2 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 m -133.63 27.14 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.116 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' LEU . 9.0 tptp -65.41 -23.25 66.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.311 -1.493 . . . . 0.0 111.089 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.82 172.42 2.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.066 -1.021 . . . . 0.0 110.217 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -98.59 70.63 1.94 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.098 0.951 . . . . 0.0 109.135 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.7 5.62 0.9 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.6 p -103.99 24.57 11.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -1.147 . . . . 0.0 109.626 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.594 ' CE1' ' N ' ' A' ' 26' ' ' HIS . 42.2 t80 -90.43 142.49 27.68 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.011 -1.056 . . . . 0.0 110.395 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 27' ' ' LYS . 6.2 t-20 -140.86 90.49 2.34 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.594 ' N ' ' CE1' ' A' ' 24' ' ' PHE . 13.1 p-80 -31.26 -34.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.826 -0.547 . . . . 0.0 111.535 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.077 -1.014 . . . . 0.0 110.586 -179.094 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -69.95 -51.68 30.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.963 -1.086 . . . . 0.0 109.944 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 67' ' ' LEU . 52.1 t80 -48.59 -65.3 0.59 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 110.097 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -62.18 -35.03 77.59 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.474 -0.766 . . . . 0.0 110.285 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 27' ' ' LYS . . . -60.76 -22.91 64.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.979 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 33' ' ' VAL . 1.1 tp -88.78 -60.54 1.93 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' LEU . 6.2 m -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.28 -29.71 1.9 Allowed Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.57 -1.3 . . . . 0.0 109.977 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -43.16 -29.85 0.41 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -1.182 . . . . 0.0 111.119 -179.316 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -39.02 -27.51 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.134 -0.979 . . . . 0.0 110.522 -179.035 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . -177.04 65.68 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.905 -1.122 . . . . 0.0 109.683 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 tpt -87.65 -68.24 0.77 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.253 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' ASN . 51.5 p -172.79 113.75 0.26 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.192 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -32.98 -33.9 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.808 -0.557 . . . . 0.0 111.568 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' SER . 1.7 t30 -74.25 -58.31 3.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.79 -1.194 . . . . 0.0 110.092 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -71.67 -1.85 15.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.097 -1.002 . . . . 0.0 109.689 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.546 ' CG1' ' OE1' ' A' ' 103' ' ' GLU . 49.2 t -92.77 -46.86 14.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -64.73 -22.46 66.99 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -30.66 54.74 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.16 -48.26 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.665 ' CE2' ' CG1' ' A' ' 58' ' ' ILE . 1.6 t80 -60.32 -51.3 70.13 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -44.05 -27.88 0.42 Allowed 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.605 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -82.28 -42.1 19.27 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' PHE . 35.4 mm -55.75 -30.05 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 56' ' ' GLY . 33.2 t0 -71.18 78.45 0.7 Allowed 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.87 0.843 . . . . 0.0 109.311 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.94 -50.34 64.24 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.408 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' ALA . 40.4 p30 -88.54 24.25 2.01 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.711 -1.243 . . . . 0.0 110.774 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . 36.56 54.0 1.07 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.478 -0.764 . . . . 0.0 110.908 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.4 p -118.95 39.07 3.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.114 -0.991 . . . . 0.0 108.524 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 51' ' ' ASP . . . 42.43 29.92 0.77 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 55' ' ' SER . 45.9 m-85 -150.98 147.85 27.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.974 -1.309 . . . . 0.0 111.129 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.665 ' CG1' ' CE2' ' A' ' 47' ' ' PHE . 3.8 mm -101.26 110.3 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' OE1' ' OE2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -88.8 156.31 19.04 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.879 -1.138 . . . . 0.0 109.927 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -51.46 -35.67 40.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 0.0 109.618 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.71 84.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.25 -0.907 . . . . 0.0 110.004 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' OE2' ' OE1' ' A' ' 59' ' ' GLU . 4.4 mt-10 -66.8 -40.66 88.18 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.7 mt -53.19 -33.55 53.17 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -54.87 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.807 . . . . 0.0 109.178 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' LEU . 38.7 m-85 -90.04 14.47 12.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.089 -1.007 . . . . 0.0 108.996 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.0 p -37.46 -26.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.65 -0.656 . . . . 0.0 111.639 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -117.34 46.62 1.67 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.409 -1.432 . . . . 0.0 111.137 -178.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.54 -24.59 15.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.022 -1.049 . . . . 0.0 108.243 178.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -72.85 -25.86 61.26 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -89.08 -20.62 24.1 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -170.18 125.98 0.79 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -42.45 -32.35 0.53 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.273 -0.892 . . . . 0.0 109.149 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.35 49.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.64 -72.84 0.84 Allowed Glycine 0 N--CA 1.488 2.105 0 N-CA-C 110.451 -1.059 . . . . 0.0 110.451 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.474 ' NH1' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -87.47 -64.88 1.08 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -1.176 . . . . 0.0 110.243 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.474 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 4.9 t70 66.9 108.22 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.974 . . . . 0.0 108.875 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 81' ' ' GLU . 3.0 mm? -60.18 153.36 22.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -98.96 -7.09 27.54 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.439 -0.788 . . . . 0.0 109.732 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 34.0 t0 108.26 -61.79 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.05 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 45.6 mt-10 -65.6 -18.05 65.04 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.601 0.715 . . . . 0.0 110.058 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 m -84.69 -24.53 28.92 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -82.2 -16.62 49.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.18 -51.38 6.33 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.65 -46.32 73.97 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.499 0.666 . . . . 0.0 109.209 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.41 -41.19 98.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.627 -0.67 . . . . 0.0 110.559 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -9.92 55.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.95 -1.093 . . . . 0.0 110.127 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' CB ' ' CE1' ' A' ' 26' ' ' HIS . . . -114.21 -12.69 12.45 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.068 -1.02 . . . . 0.0 108.825 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -95.07 -21.73 18.36 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.396 -0.815 . . . . 0.0 109.277 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -104.56 -176.74 3.17 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.935 . . . . 0.0 109.562 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm 173.74 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -68.03 -11.08 58.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.312 -0.868 . . . . 0.0 109.198 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.28 10.28 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -110.0 5.28 22.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -1.21 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.21 22.16 6.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -145.22 141.83 29.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -1.162 . . . . 0.0 109.552 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.68 99.51 8.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.554 -0.716 . . . . 0.0 109.416 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.76 -164.47 3.4 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.132 -1.987 . . . . 0.0 108.132 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.635 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 11.1 mm -70.03 -77.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.015 -1.285 . . . . 0.0 110.467 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.4 t0 -39.94 -38.12 0.66 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.032 -1.042 . . . . 0.0 110.612 -177.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.59 -42.62 74.2 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.229 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.527 ' O ' ' CG2' ' A' ' 106' ' ' VAL . 10.1 t80 -74.05 -54.17 8.41 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.608 -0.683 . . . . 0.0 111.523 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.546 ' OE1' ' CG1' ' A' ' 43' ' ' VAL . 24.0 mm-40 -69.96 -5.49 26.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.015 -1.053 . . . . 0.0 110.339 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.518 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.4 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -32.57 65.35 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.235 -0.916 . . . . 0.0 109.259 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 102' ' ' PHE . 3.2 t -65.77 -40.55 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.363 -0.836 . . . . 0.0 109.391 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.47 ' ND1' ' O ' ' A' ' 103' ' ' GLU . 40.0 m170 -72.38 -38.5 68.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.304 -0.872 . . . . 0.0 109.441 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.46 -18.88 65.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.365 -0.834 . . . . 0.0 109.245 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.412 179.835 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.705 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -122.58 -3.35 8.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.965 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.53 ' CB ' ' CE1' ' A' ' 70' ' ' PHE . . . -101.44 27.43 6.28 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -84.62 -31.71 24.1 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.584 -0.698 . . . . 0.0 109.381 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.6 -16.1 40.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tp -90.23 -40.22 12.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.159 -0.963 . . . . 0.0 110.048 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 2.6 pp -146.44 166.85 25.16 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.151 -0.968 . . . . 0.0 109.594 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER 162.96 40.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.11 -132.86 0.07 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.284 . . . . 0.0 111.283 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -58.76 -15.04 10.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.967 -1.083 . . . . 0.0 110.044 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.23 -34.48 65.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -90.89 -27.18 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.14 -0.975 . . . . 0.0 109.599 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -21.91 39.28 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.405 -0.809 . . . . 0.0 110.103 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -90.12 -40.07 12.47 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.107 -0.996 . . . . 0.0 109.241 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.512 ' CB ' ' CE1' ' A' ' 29' ' ' PHE . . . -63.51 -50.28 70.2 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.038 -1.039 . . . . 0.0 110.217 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.98 -43.94 77.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.931 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -63.23 -17.43 62.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.889 -1.132 . . . . 0.0 109.119 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.25 -23.07 24.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 m -142.06 40.73 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 119.264 -0.975 . . . . 0.0 110.746 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -90.19 -4.45 57.24 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.604 -1.31 . . . . 0.0 112.163 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.47 -172.41 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.512 -1.367 . . . . 0.0 109.921 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -98.89 67.51 1.67 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.078 0.942 . . . . 0.0 109.876 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.17 8.25 2.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.5 p -91.44 0.88 57.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -1.066 . . . . 0.0 111.233 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CE2' ' CG ' ' A' ' 29' ' ' PHE . 13.7 t80 -90.93 136.56 32.99 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 120.437 -1.415 . . . . 0.0 111.179 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.519 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.8 m-20 -120.86 -87.37 0.64 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CE1' ' CD ' ' A' ' 27' ' ' LYS . 20.7 p-80 170.98 -28.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 13.7 mtpp -84.54 -51.64 6.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.888 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -24.47 63.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.101 -0.999 . . . . 0.0 110.189 -178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.539 ' CG ' ' CE2' ' A' ' 24' ' ' PHE . 94.6 t80 -76.55 -64.89 1.01 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.159 -0.963 . . . . 0.0 109.706 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -60.86 -34.07 74.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 110.202 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 27' ' ' LYS . . . -64.88 -35.29 80.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.258 -0.901 . . . . 0.0 109.71 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -52.23 16.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.909 . . . . 0.0 109.919 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p -51.96 -40.12 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 109.949 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 132.3 -24.78 3.93 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -36.69 -37.14 0.13 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.734 -0.862 . . . . 0.0 110.591 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -56.47 7.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.133 -0.979 . . . . 0.0 109.885 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.91 47.84 1.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' SER . 3.8 tpp -90.22 26.86 1.78 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.014 . . . . 0.0 109.453 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 41' ' ' ASN . 5.0 p 60.56 116.87 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.297 -0.877 . . . . 0.0 109.717 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.49 -25.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.515 -0.741 . . . . 0.0 111.614 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.5 t30 -73.79 -58.26 3.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.603 -1.311 . . . . 0.0 109.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.38 -2.59 17.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 109.24 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 39' ' ' SER . 20.8 t -91.19 -44.4 14.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.35 -20.22 66.3 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -83.1 -31.11 27.44 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.46 -40.29 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.6 t80 -65.75 -50.31 65.22 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -41.93 -30.01 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.117 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -82.72 -42.74 17.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' PHE . 41.6 mm -53.58 -27.21 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.142 -0.974 . . . . 0.0 108.969 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' A' ' 55' ' ' SER . 6.2 t70 -85.21 55.42 3.49 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 122.225 1.012 . . . . 0.0 108.488 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . -29.11 -47.94 0.06 Allowed 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' SER . 38.1 p30 -87.35 39.93 0.9 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.353 -1.467 . . . . 0.0 111.201 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' CA ' ' OD2' ' A' ' 51' ' ' ASP . . . 29.35 35.6 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.596 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.5 m -96.6 25.6 5.03 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.585 -1.322 . . . . 0.0 108.515 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.21 23.37 1.76 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 30.9 m-85 -145.07 142.17 29.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.365 -1.079 . . . . 0.0 110.743 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CG2' ' CG2' ' A' ' 50' ' ' ILE . 10.6 mm -89.69 106.15 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.64 157.64 18.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.879 -1.138 . . . . 0.0 110.011 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.83 -51.53 29.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.458 -0.776 . . . . 0.0 109.849 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -56.1 -31.79 63.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.277 -0.89 . . . . 0.0 110.32 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' CG ' ' CB ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -74.08 -35.5 64.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.048 -1.033 . . . . 0.0 108.631 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.9 mt -53.2 -44.98 68.41 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -60.19 -48.31 82.26 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 10.4 m-85 -90.42 37.44 0.91 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.826 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 9.9 p -56.61 -49.62 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 34.9 mt -81.49 8.59 9.14 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.457 -1.402 . . . . 0.0 110.062 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -43.93 69.24 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.439 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -68.28 -28.99 67.68 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.53 ' CE1' ' CB ' ' A' ' 2' ' ' ALA . 5.7 m-30 -89.68 -0.67 57.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 70' ' ' PHE . . . 165.28 133.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.245 -0.91 . . . . 0.0 109.086 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.11 -54.26 38.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.027 . . . . 0.0 108.802 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.03 51.95 0.93 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.57 -69.97 1.33 Allowed Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.281 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 45.1 tpt85 -83.66 -75.22 0.34 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.058 -1.26 . . . . 0.0 111.135 -178.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 9.6 t0 74.08 60.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 76' ' ' ASP . 8.0 mp -42.73 165.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.66 0.743 . . . . 0.0 110.759 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.661 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -92.46 -19.62 21.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.661 ' CB ' ' O ' ' A' ' 78' ' ' THR . 35.1 t0 121.55 -60.73 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 -177.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.43 73.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.464 ' OE2' ' NH2' ' A' ' 75' ' ' ARG . 24.2 mt-10 -62.1 -33.6 74.74 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.172 0.986 . . . . 0.0 108.852 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.9 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -10.32 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -49.12 6.77 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -47.3 81.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.81 -43.95 94.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.552 -0.717 . . . . 0.0 110.292 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.75 1.71 16.45 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.064 -1.022 . . . . 0.0 110.345 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.447 ' O ' ' CD2' ' A' ' 105' ' ' LEU . . . -120.95 -13.38 8.62 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 108.857 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.09 9.46 11.17 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.421 -0.8 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 94' ' ' ASP . 25.0 t0 -126.94 73.29 1.4 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -23.67 59.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.29 -0.882 . . . . 0.0 109.611 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -85.53 -5.62 59.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 109.564 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 57.47 48.13 83.15 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 90' ' ' ASP . 22.0 p-10 -120.68 16.93 11.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -1.151 . . . . 0.0 109.732 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 47.18 31.13 5.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -148.0 135.64 20.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -1.092 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 3.2 mp -122.97 99.31 6.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.406 -0.809 . . . . 0.0 109.258 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.61 -164.32 6.38 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 5.7 mm -73.91 -71.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.188 -1.183 . . . . 0.0 109.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 99' ' ' ILE . 1.4 p30 -37.23 -35.86 0.12 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.914 -1.116 . . . . 0.0 110.613 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -73.15 -46.0 53.48 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' A' ' 99' ' ' ILE . 47.9 t80 -68.76 -54.16 17.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.64 -0.663 . . . . 0.0 110.478 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.6 -11.48 35.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.759 -1.213 . . . . 0.0 110.627 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -85.98 -49.93 7.46 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.447 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 4.6 tp -69.72 -55.2 10.59 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.727 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.8 t -49.69 -37.73 12.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.726 -0.608 . . . . 0.0 109.706 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -70.48 -41.07 73.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.096 -1.003 . . . . 0.0 109.631 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.39 33.66 0.82 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 0.0 109.506 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.437 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.757 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . 66.52 82.56 0.18 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.204 -0.935 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.37 16.45 20.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.261 -0.9 . . . . 0.0 109.218 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -90.05 -30.54 17.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.302 -0.874 . . . . 0.0 109.309 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -87.76 -6.72 58.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.262 -0.898 . . . . 0.0 109.538 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tt -91.81 5.23 50.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.155 -0.965 . . . . 0.0 109.681 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -129.56 -166.87 1.72 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.522 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.565 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 1.9 mptp? -100.86 -4.19 28.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 83.95 -45.59 0.1 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.334 0.588 . . . . 0.0 109.766 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.58 -32.88 74.71 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.325 -0.859 . . . . 0.0 109.723 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.01 -28.64 66.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.957 -1.089 . . . . 0.0 108.642 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.495 ' CG2' ' CD1' ' A' ' 15' ' ' LEU . 2.9 mp -80.18 -19.22 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 0.0 109.089 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.57 -13.51 42.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.811 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -90.55 -50.92 5.66 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.058 -1.026 . . . . 0.0 108.356 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -34.85 78.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.274 -0.891 . . . . 0.0 110.124 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD1' ' CG2' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -77.29 -33.41 55.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.547 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.88 -20.58 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.309 -0.87 . . . . 0.0 110.189 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.08 -20.7 21.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.074 -1.016 . . . . 0.0 109.496 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.565 ' O ' ' N ' ' A' ' 20' ' ' ALA . 33.3 m -108.57 -20.61 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.827 -1.17 . . . . 0.0 111.861 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -31.02 -31.66 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.742 -0.599 . . . . 0.0 112.022 -178.07 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -47.9 170.8 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.738 -1.227 . . . . 0.0 109.136 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -97.59 71.07 2.27 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.144 -1.022 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.1 16.32 1.77 Allowed Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p -111.03 26.1 11.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.51 -0.994 . . . . 0.0 110.094 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 18.1 t80 -90.67 146.73 23.78 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.628 -1.295 . . . . 0.0 109.589 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.576 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -139.11 131.66 28.75 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -68.52 -33.03 73.42 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.241 . . . . 0.0 108.887 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -78.15 -50.73 11.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.486 -0.759 . . . . 0.0 110.575 -179.779 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.67 -48.76 71.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.086 -1.009 . . . . 0.0 110.023 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' CE2' ' A' ' 24' ' ' PHE . 38.6 t80 -54.08 -70.27 0.1 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.459 -0.775 . . . . 0.0 110.269 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -56.55 -32.65 65.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 27' ' ' LYS . . . -56.72 -53.58 56.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.997 . . . . 0.0 109.488 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -37.02 85.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.7 t -47.08 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 144.87 -35.88 1.46 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' GLY . 32.2 tp -40.96 -27.08 0.05 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.535 -0.98 . . . . 0.0 110.399 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -43.52 -63.74 0.78 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.129 -0.982 . . . . 0.0 110.093 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.06 45.41 0.96 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.61 -69.73 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.022 -1.049 . . . . 0.0 109.374 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 41' ' ' ASN . 5.2 p 175.46 112.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.271 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.81 -30.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.747 -0.596 . . . . 0.0 111.434 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.9 t30 -76.62 -59.07 2.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.816 -1.178 . . . . 0.0 109.969 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -70.31 -3.1 15.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.035 -1.041 . . . . 0.0 109.637 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.4 t -90.55 -43.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -61.63 -23.98 66.41 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -78.27 -32.09 49.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.43 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -64.42 -50.47 67.46 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -42.46 -28.72 0.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.21 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -86.47 -40.39 15.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.433 -0.792 . . . . 0.0 109.196 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' PHE . 42.2 mm -51.16 -36.74 16.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.78 66.42 9.62 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 53.31 0.83 Allowed 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.794 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.488 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -150.89 -90.2 0.06 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 178.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 53' ' ' ASP . . . 169.05 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.198 -0.939 . . . . 0.0 111.366 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.615 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 91.4 p -146.24 33.22 0.99 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.722 -1.236 . . . . 0.0 109.515 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 30.5 36.52 0.02 OUTLIER Glycine 0 N--CA 1.5 2.924 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.3 m-85 -149.8 144.17 25.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -1.186 . . . . 0.0 110.687 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.424 ' CG2' ' CG2' ' A' ' 50' ' ' ILE . 9.3 mm -90.21 107.08 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.68 162.51 16.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.823 -1.173 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.95 -37.43 20.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.498 -0.752 . . . . 0.0 109.747 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -64.12 -36.4 83.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 110.357 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 66' ' ' VAL . 57.8 mm-40 -71.62 -29.03 64.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.054 -1.029 . . . . 0.0 108.241 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.68 -34.88 79.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -68.15 -49.13 62.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.239 -0.913 . . . . 0.0 109.361 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.8 m-85 -98.24 12.78 33.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.235 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 p -37.91 -27.22 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.72 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -100.59 42.17 1.13 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.712 -1.242 . . . . 0.0 109.403 -179.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.24 -27.11 13.67 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 m -78.23 -24.89 46.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 19.1 m-85 -90.65 -11.55 39.49 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -178.77 111.79 0.06 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -39.35 -38.08 0.51 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.421 -0.8 . . . . 0.0 109.663 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -138.01 58.47 1.68 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.69 -88.44 1.19 Allowed Glycine 0 N--CA 1.484 1.864 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 81' ' ' GLU . 27.9 tpt85 -91.63 112.16 23.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.525 -0.985 . . . . 0.0 110.18 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.49 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 30.2 t70 -96.46 112.55 24.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.574 ' CD1' ' CB ' ' A' ' 81' ' ' GLU . 2.6 mm? -54.86 142.64 28.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.757 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.657 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -91.72 -20.87 21.1 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.893 . . . . 0.0 110.147 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.657 ' CB ' ' O ' ' A' ' 78' ' ' THR . 17.3 t70 124.97 -61.62 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.17 84.05 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.574 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . 51.1 mt-10 -64.04 -25.24 68.02 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.924 0.868 . . . . 0.0 109.522 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.429 ' OG1' ' CG ' ' A' ' 77' ' ' LEU . 10.2 m -84.6 -23.17 29.7 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.49 -12.2 59.57 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.64 -50.41 6.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -47.09 81.97 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.04 -40.67 91.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.478 -0.764 . . . . 0.0 110.266 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.33 2.81 17.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.103 -0.998 . . . . 0.0 110.194 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.24 -17.38 8.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.135 -0.978 . . . . 0.0 108.994 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.53 -24.41 14.47 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.338 -0.851 . . . . 0.0 109.791 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -93.92 179.01 5.48 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.069 -1.02 . . . . 0.0 109.468 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.08 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 92' ' ' ASP . 35.5 p-10 -63.51 -11.6 25.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.903 . . . . 0.0 109.5 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.14 27.13 45.99 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -95.53 -12.12 26.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.225 -1.162 . . . . 0.0 110.025 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.31 23.82 68.57 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -147.21 133.84 19.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -1.104 . . . . 0.0 109.072 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.3 mp -107.65 97.16 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.68 -157.77 1.76 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.7 mm -74.34 -74.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.98 -1.306 . . . . 0.0 110.006 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -39.11 -35.6 0.24 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.918 -1.114 . . . . 0.0 110.358 -178.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.03 -44.79 62.83 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 99' ' ' ILE . 60.1 t80 -71.23 -54.61 10.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.644 -0.66 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.31 -23.02 62.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.776 -1.202 . . . . 0.0 109.679 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.521 ' O ' ' CG ' ' A' ' 108' ' ' GLU . 1.3 m -79.8 -29.07 40.19 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -79.34 -33.91 42.62 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.51 -44.64 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.703 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 6.5 m80 -60.29 -33.69 72.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.102 -0.999 . . . . 0.0 108.885 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 104' ' ' THR . 6.1 mm-40 -77.36 -35.64 54.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.366 -0.833 . . . . 0.0 109.352 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.422 -179.901 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.416 ' O ' ' C ' ' A' ' 1' ' ' ALA . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 0' ' ' ACE . . . 43.55 59.74 2.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.287 -0.883 . . . . 0.0 109.501 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.31 15.66 21.29 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.203 -0.935 . . . . 0.0 109.27 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -29.58 18.05 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.257 -0.902 . . . . 0.0 109.465 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.1 -15.39 62.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tt -94.41 7.71 44.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.49 -171.19 2.0 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.222 -0.924 . . . . 0.0 109.618 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -104.51 0.76 29.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.681 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 84.4 -60.55 0.1 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 0.0 109.424 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -61.58 -23.93 66.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.48 -0.762 . . . . 0.0 109.545 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.53 -27.54 62.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.045 -1.034 . . . . 0.0 108.96 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mt -79.67 -29.2 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.296 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -86.22 -8.67 57.61 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 109.735 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.29 65.39 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.355 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.78 -34.84 75.09 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.451 -0.781 . . . . 0.0 109.232 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -70.92 -20.97 62.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.139 -0.975 . . . . 0.0 109.899 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.98 -22.19 20.94 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.254 -0.904 . . . . 0.0 109.62 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 20' ' ' ALA . 33.2 m -103.4 -23.32 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 118.782 -1.167 . . . . 0.0 112.058 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -33.61 -29.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.613 -0.68 . . . . 0.0 111.601 -178.121 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -48.58 174.7 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.89 -1.131 . . . . 0.0 109.104 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -97.95 70.24 2.12 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.86 18.14 2.68 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.527 ' OG ' ' CB ' ' A' ' 20' ' ' ALA . 93.1 p -101.95 14.66 31.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.531 -0.982 . . . . 0.0 111.049 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CE2' ' CD1' ' A' ' 29' ' ' PHE . 34.0 t80 -81.59 134.37 35.49 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.531 -1.356 . . . . 0.0 109.858 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -133.85 99.61 4.5 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.485 ' C ' ' O ' ' A' ' 25' ' ' ASN . 19.7 p-80 -37.05 -29.43 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 110.669 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 25' ' ' ASN . 2.9 mtpm? -76.86 -56.64 4.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.21 -0.931 . . . . 0.0 110.892 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -66.82 -49.71 64.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.112 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.518 ' CD1' ' CE2' ' A' ' 24' ' ' PHE . 72.0 t80 -48.7 -63.89 0.96 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 110.228 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.96 -32.67 74.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.465 -0.772 . . . . 0.0 110.794 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -34.98 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.134 -0.979 . . . . 0.0 109.873 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mt -80.42 -52.62 7.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 0.0 110.414 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 p -47.32 -42.69 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.005 -1.059 . . . . 0.0 110.305 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 130.73 -23.51 4.45 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.543 -1.348 . . . . 0.0 110.104 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -42.55 -31.1 0.4 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -1.148 . . . . 0.0 110.17 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.61 -50.84 71.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 110.025 -179.39 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.44 23.55 8.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 110.769 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -176.87 2.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.133 . . . . 0.0 109.177 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 41' ' ' ASN . 86.5 p -97.92 122.13 40.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.43 -29.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.708 -0.62 . . . . 0.0 111.394 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -73.01 -56.79 4.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.738 -1.226 . . . . 0.0 108.031 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.69 0.74 9.9 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.965 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.491 ' CG2' ' NE2' ' A' ' 107' ' ' HIS . 58.8 t -92.34 -47.33 14.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -65.44 -21.82 66.7 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.32 -1.734 . . . . 0.0 106.32 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.5 -31.58 37.18 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 t -66.04 -38.53 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.4 t80 -65.92 -51.69 56.41 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.067 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -44.88 -29.09 0.74 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.404 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -81.4 -41.98 21.1 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' PHE . 44.4 mm -50.71 -32.78 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 57' ' ' PHE . 16.3 t70 -79.43 74.81 6.04 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.52 50.61 0.82 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.035 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -151.54 -94.53 0.06 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 173.98 56.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 110.644 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.0 p -147.32 35.14 0.88 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.034 -1.041 . . . . 0.0 109.21 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 31.91 35.56 0.02 OUTLIER Glycine 0 N--CA 1.498 2.789 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 m-85 -148.11 148.97 31.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -1.141 . . . . 0.0 110.754 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.408 ' CG2' ' CG2' ' A' ' 50' ' ' ILE . 7.9 mm -89.79 111.53 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.59 153.45 21.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.908 -1.12 . . . . 0.0 109.781 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -51.88 -47.08 64.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 0.0 109.805 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.23 -29.07 68.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 110.248 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 53' ' ' ASP . 21.8 mm-40 -75.16 -35.96 61.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 108.619 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.43 -40.75 71.92 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.251 0.548 . . . . 0.0 109.962 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -49.09 59.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.038 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -89.34 21.72 3.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.572 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.7 p -78.72 22.89 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.088 -1.007 . . . . 0.0 111.194 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 68.0 mt -122.27 16.92 10.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.497 -1.377 . . . . 0.0 109.854 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -32.65 18.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 108.737 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.4 m -85.39 -23.07 28.1 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -99.24 -19.55 17.04 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -144.83 119.04 9.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.58 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.862 . . . . 0.0 111.057 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -89.55 -32.52 17.11 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.767 -1.208 . . . . 0.0 109.983 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.18 79.5 0.53 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -57.82 90.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -1.048 . . . . 0.0 110.009 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -48.07 128.86 14.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.981 -1.074 . . . . 0.0 108.855 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.35 176.53 1.36 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.2 m -95.38 -6.32 41.27 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.315 -0.866 . . . . 0.0 109.671 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.9 t0 105.02 -61.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.14 73.85 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -63.54 -31.5 72.68 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.975 0.893 . . . . 0.0 109.063 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.4 m -78.83 -25.46 44.12 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -6.98 59.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.4 -47.51 7.69 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -49.34 72.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.92 -41.51 95.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.472 -0.768 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 6.01 11.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.871 -1.143 . . . . 0.0 110.291 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' CB ' ' CE1' ' A' ' 26' ' ' HIS . . . -116.67 -23.07 8.33 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.967 -1.083 . . . . 0.0 108.804 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.519 ' O ' ' CD1' ' A' ' 97' ' ' ILE . . . -119.79 14.16 12.48 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.464 -0.773 . . . . 0.0 109.385 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.456 ' OD1' ' OD1' ' A' ' 94' ' ' ASP . 10.1 t0 -138.74 83.2 1.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.33 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.13 59.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 0.0 109.683 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 94' ' ' ASP . 2.6 p30 -76.54 -12.21 59.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.628 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.05 59.13 10.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.456 ' OD1' ' OD1' ' A' ' 90' ' ' ASP . 15.6 p-10 -112.86 10.28 19.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -1.186 . . . . 0.0 109.898 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 56.63 27.23 54.58 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -150.33 115.64 5.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.017 -1.284 . . . . 0.0 109.532 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 89' ' ' ALA . 22.7 mm -99.25 105.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.466 -0.771 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.64 -169.73 33.6 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 13.0 mm -69.32 -73.56 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.201 -1.176 . . . . 0.0 110.495 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.8 m-20 -37.83 -38.49 0.3 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.038 -1.039 . . . . 0.0 110.558 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -46.81 70.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.932 -1.105 . . . . 0.0 108.022 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 99' ' ' ILE . 36.7 t80 -68.05 -55.8 11.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.819 -0.551 . . . . 0.0 111.492 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 27.1 tt0 -66.64 -8.5 27.9 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.572 -1.33 . . . . 0.0 110.195 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 2.6 m -90.69 -49.51 6.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.139 -0.976 . . . . 0.0 108.582 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.5 -12.58 59.52 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.238 -0.914 . . . . 0.0 109.936 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.8 t -90.28 -35.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.246 -0.909 . . . . 0.0 109.22 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.491 ' NE2' ' CG2' ' A' ' 43' ' ' VAL . 12.5 m170 -81.58 -32.7 32.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.336 -0.853 . . . . 0.0 109.404 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' O ' ' OXT' ' A' ' 109' ' ' ALA . 7.1 mm-40 -94.94 37.74 1.14 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.233 -0.917 . . . . 0.0 109.476 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.414 ' OXT' ' O ' ' A' ' 108' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.471 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.78 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -125.6 -46.85 1.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.18 8.06 44.1 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.289 -0.882 . . . . 0.0 108.788 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -75.71 -34.37 60.36 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.322 -0.861 . . . . 0.0 108.946 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -88.61 -2.93 58.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.437 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.11 8.51 43.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.13 -167.74 1.86 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.75 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 1.2 tttm -86.46 -12.34 49.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 0.0 109.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 84.15 -62.85 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.437 0.637 . . . . 0.0 109.737 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.92 -32.24 73.49 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.386 -0.821 . . . . 0.0 110.026 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 40.4 m-20 -63.93 -33.42 75.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.925 -1.11 . . . . 0.0 108.97 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.43 -31.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -75.99 -8.7 57.56 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 0.0 109.146 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -45.7 11.2 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' CB ' ' CD1' ' A' ' 29' ' ' PHE . . . -70.1 -48.5 57.39 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.298 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.3 -32.05 69.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.064 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -77.04 -23.56 52.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 110.118 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -17.59 25.44 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.981 -1.075 . . . . 0.0 109.383 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 20' ' ' ALA . 31.4 m -110.53 -20.95 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.871 -1.143 . . . . 0.0 111.32 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -35.74 -28.38 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.388 -0.82 . . . . 0.0 111.178 -178.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -45.56 173.33 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.09 -1.006 . . . . 0.0 109.854 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.66 70.47 3.02 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.325 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.91 15.02 3.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.495 ' OG ' ' CB ' ' A' ' 20' ' ' ALA . 88.8 p -98.53 9.6 42.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.491 -1.005 . . . . 0.0 111.24 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 20.5 t80 -92.19 134.99 34.35 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.469 -1.394 . . . . 0.0 110.097 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.472 ' O ' ' CE1' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -116.22 -91.32 0.53 Allowed 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.112 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 173.01 -31.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -82.69 -51.29 7.86 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.388 -0.82 . . . . 0.0 110.313 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.69 -31.89 71.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.944 -179.002 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CD1' ' CB ' ' A' ' 14' ' ' ALA . 80.9 t80 -68.59 -68.15 0.42 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.097 -1.002 . . . . 0.0 109.478 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -53.26 -29.93 35.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 110.248 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.94 64.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.766 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 1.3 mt -74.44 -1.9 23.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.964 . . . . 0.0 110.353 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 89.7 t -84.13 -61.37 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.868 -1.145 . . . . 0.0 109.887 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.75 -35.03 1.12 Allowed Glycine 0 N--CA 1.49 2.234 0 C-N-CA 119.56 -1.305 . . . . 0.0 109.949 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -61.6 -9.79 6.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.041 -1.27 . . . . 0.0 110.637 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.5 -22.15 7.58 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.904 -1.123 . . . . 0.0 109.197 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.57 58.84 0.27 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 0.0 109.641 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.424 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -88.1 -64.71 1.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 109.299 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.2 p 170.37 122.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 109.547 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.13 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.715 -0.616 . . . . 0.0 111.146 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.0 t30 -75.6 -52.03 11.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.947 -1.096 . . . . 0.0 109.549 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.22 -0.79 17.98 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.186 -0.946 . . . . 0.0 109.087 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.06 -45.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.99 -21.77 66.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.54 -29.87 37.15 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.4 t -70.44 -47.5 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.656 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.2 t80 -60.55 -50.86 71.87 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -28.58 2.36 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.4 -38.7 29.78 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' A' ' 52' ' ' ALA . 25.4 mm -58.87 -32.12 46.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 54' ' ' ALA . 27.4 t0 -51.49 85.99 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.874 0.845 . . . . 0.0 109.111 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -66.98 -54.46 21.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.909 -0.495 . . . . 0.0 111.671 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' OD2' ' OE1' ' A' ' 59' ' ' GLU . 2.2 p30 -89.0 26.89 1.45 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.67 -1.269 . . . . 0.0 110.64 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 51' ' ' ASP . . . 48.01 35.91 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.273 -0.892 . . . . 0.0 111.425 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -107.94 30.13 6.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.572 -1.33 . . . . 0.0 108.804 179.141 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 41.53 37.73 1.92 Allowed Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.7 m-85 -150.47 145.76 26.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -1.084 . . . . 0.0 110.023 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.639 ' CG1' ' CE2' ' A' ' 47' ' ' PHE . 1.8 mm -101.06 96.25 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' OE1' ' OD2' ' A' ' 53' ' ' ASP . 3.3 mt-10 -89.54 171.74 9.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.167 -0.958 . . . . 0.0 110.531 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.518 ' CG ' ' CD1' ' A' ' 86' ' ' LEU . 0.2 OUTLIER -54.45 -41.2 69.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.669 -0.645 . . . . 0.0 110.336 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -27.94 69.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.069 -1.019 . . . . 0.0 109.967 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' VAL . 15.6 mt-10 -76.2 -46.79 26.7 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 88.8 mt -44.66 -43.14 8.09 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -69.99 -38.82 76.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 108.856 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -94.9 20.25 9.12 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.311 -0.868 . . . . 0.0 109.619 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 63' ' ' LEU . 10.0 p -86.26 44.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 0.0 108.558 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -132.78 -56.44 0.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.648 -0.657 . . . . 0.0 109.874 -179.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -34.64 -32.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.504 -0.747 . . . . 0.0 110.967 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -43.23 -51.17 6.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.151 -0.968 . . . . 0.0 109.591 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -88.04 -31.04 19.5 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -145.57 103.86 3.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.73 -1.231 . . . . 0.0 110.648 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -39.59 -35.14 0.28 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.395 -0.816 . . . . 0.0 110.418 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -139.15 58.3 1.64 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.56 -90.88 1.4 Allowed Glycine 0 N--CA 1.479 1.562 0 C-N-CA 120.091 -1.052 . . . . 0.0 110.643 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -92.32 -68.58 0.79 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.478 -1.013 . . . . 0.0 111.302 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 33.3 t0 80.04 95.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.82 157.3 33.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 110.729 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 p -104.77 173.2 6.41 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.5 -46.39 38.25 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 121.513 -0.742 . . . . 0.0 110.507 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.56 85.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.932 -1.105 . . . . 0.0 109.381 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.19 -30.34 64.45 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.101 0.953 . . . . 0.0 109.948 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 m -86.63 -22.33 26.24 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.334 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -77.65 -14.1 59.72 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.52 6.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.194 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.518 ' CD1' ' CG ' ' A' ' 60' ' ' GLU . 21.2 tp -64.29 -46.06 85.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.655 -0.653 . . . . 0.0 111.196 -178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.483 ' CD ' ' O ' ' A' ' 83' ' ' LYS . 20.7 ptmt -78.8 -12.32 60.02 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.82 -1.175 . . . . 0.0 111.015 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.85 -6.39 15.25 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.847 -1.158 . . . . 0.0 108.85 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -101.11 -31.07 11.23 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.344 -0.848 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 92' ' ' ASP . 3.3 t0 -98.9 118.53 35.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.118 -0.989 . . . . 0.0 109.137 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -79.12 -44.52 21.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.129 -0.982 . . . . 0.0 109.656 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 90' ' ' ASP . 43.6 p-10 -92.02 3.71 54.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.302 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.31 56.02 11.59 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.483 ' OD2' ' CG ' ' A' ' 96' ' ' LYS . 7.9 p-10 -89.09 -28.84 19.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.343 -1.092 . . . . 0.0 109.193 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.26 -5.45 13.33 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.86 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.483 ' CG ' ' OD2' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -149.99 137.24 19.68 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.698 -1.472 . . . . 0.0 110.774 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.2 mm -102.73 100.19 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.17 -168.07 5.53 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.656 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.9 mm -71.38 -69.29 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.241 -1.152 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 99' ' ' ILE . 12.8 t0 -39.15 -35.72 0.26 Allowed 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.899 -1.126 . . . . 0.0 110.713 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -41.55 52.35 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.802 -1.186 . . . . 0.0 108.057 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 99' ' ' ILE . 38.0 t80 -70.35 -54.1 13.9 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.564 -0.71 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -27.98 67.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.334 -1.479 . . . . 0.0 109.25 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.3 m -79.57 -24.65 41.93 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' VAL . 2.3 tt -82.66 -66.59 0.87 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 105' ' ' LEU . 2.7 t -40.78 -41.6 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.632 -0.667 . . . . 0.0 109.415 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.23 -71.06 0.21 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.28 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.72 -70.7 0.11 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 109.321 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.424 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.531 ' CH3' ' CB ' ' A' ' 69' ' ' SER . . . . . . . . 0 C--O 1.215 -0.721 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . 179.0 35.88 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.16 -0.963 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.1 12.78 33.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.921 . . . . 0.0 108.871 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -16.7 60.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.533 -0.729 . . . . 0.0 110.267 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -80.79 -25.51 37.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.053 -1.029 . . . . 0.0 111.081 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.9 tp -89.04 -45.06 9.93 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.888 -1.132 . . . . 0.0 109.105 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.583 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 1.5 pt? -153.08 -164.22 1.88 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.396 -0.815 . . . . 0.0 109.274 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.583 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 1.9 mptt 133.21 58.23 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 123.287 0.635 . . . . 0.0 109.657 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.87 -110.24 0.08 Allowed 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.08 -1.013 . . . . 0.0 110.424 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.43 -22.92 66.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.848 -1.158 . . . . 0.0 110.19 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.39 -27.72 59.2 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.977 -1.077 . . . . 0.0 109.191 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.622 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 1.5 mp -91.15 -15.17 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.435 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -81.64 -29.29 33.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -87.51 -42.15 12.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.232 -0.917 . . . . 0.0 108.617 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' CB ' ' CE1' ' A' ' 29' ' ' PHE . . . -64.73 -54.19 35.35 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.295 -0.878 . . . . 0.0 110.236 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 19' ' ' LYS . 12.5 mt -60.86 -40.73 94.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.63 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.03 -21.18 66.8 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 108.876 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.26 -19.11 30.42 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 27.7 m -139.55 37.06 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.341 -0.849 . . . . 0.0 111.281 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -82.37 -11.83 58.33 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.341 -1.475 . . . . 0.0 111.673 -178.438 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.13 176.39 3.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.703 -1.248 . . . . 0.0 110.172 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -95.81 71.69 3.01 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.186 0.993 . . . . 0.0 109.017 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.8 17.05 1.55 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 108.982 -1.647 . . . . 0.0 108.982 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.9 p -108.9 27.31 9.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.516 -0.991 . . . . 0.0 110.193 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 28.1 t80 -89.31 143.77 26.58 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 120.666 -1.271 . . . . 0.0 110.928 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.541 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 59.1 m-80 -135.89 121.5 19.55 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -64.26 -29.53 70.62 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.706 -1.246 . . . . 0.0 110.083 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -80.65 -56.71 3.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 111.315 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -67.48 -41.88 83.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.879 -1.138 . . . . 0.0 109.799 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CG ' ' CE2' ' A' ' 24' ' ' PHE . 75.5 t80 -55.64 -62.59 1.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.432 -0.793 . . . . 0.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -64.34 -37.04 86.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 0.0 110.39 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.98 -42.69 63.15 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.104 -0.997 . . . . 0.0 108.684 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' VAL . 12.7 mt -72.23 -51.06 22.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.48 -0.763 . . . . 0.0 109.482 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 32' ' ' LEU . 60.9 t -40.39 -57.93 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.443 -0.785 . . . . 0.0 109.838 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.83 -20.03 5.47 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.31 -11.6 6.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.128 -1.219 . . . . 0.0 110.514 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' CE ' ' O ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -75.16 1.14 14.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.903 -1.123 . . . . 0.0 109.984 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -168.07 45.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.67 -57.47 2.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.279 -0.888 . . . . 0.0 109.596 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.8 OUTLIER 165.96 116.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.664 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' CB ' ' OE2' ' A' ' 103' ' ' GLU . . . -35.45 -29.78 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.711 -0.618 . . . . 0.0 111.164 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.6 t30 -74.66 -53.34 9.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.797 -1.189 . . . . 0.0 109.129 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.59 -1.37 15.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.285 -0.884 . . . . 0.0 109.196 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -92.56 -45.44 14.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -22.83 66.35 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -30.86 48.2 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.5 t -69.38 -46.38 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.491 -1.283 . . . . 0.0 108.041 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.681 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.1 t80 -59.4 -52.37 65.9 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.385 0.612 . . . . 0.0 109.48 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -47.95 -26.18 1.64 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -87.84 -34.78 18.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.583 -0.698 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 58' ' ' ILE . 22.1 mm -54.17 -36.86 33.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 5.3 t0 -73.81 76.76 1.6 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . . . -79.43 49.76 1.03 Allowed 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.075 0.464 . . . . 0.0 111.166 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -151.39 -92.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 175.09 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.201 -0.937 . . . . 0.0 110.675 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.5 p -143.28 32.86 1.33 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.793 -1.192 . . . . 0.0 109.525 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 35.33 31.34 0.02 OUTLIER Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 29.5 m-85 -148.25 156.76 42.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -1.172 . . . . 0.0 110.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.677 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 1.5 mp -105.31 101.72 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.25 167.09 13.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.965 -1.084 . . . . 0.0 110.502 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -46.92 -37.5 9.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.584 -0.698 . . . . 0.0 109.618 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -42.6 99.0 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.307 -0.871 . . . . 0.0 110.066 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' OE1' ' CB ' ' A' ' 52' ' ' ALA . 61.0 mm-40 -71.91 -22.08 61.54 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.06 -17.88 60.9 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -89.37 -30.46 18.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.0 108.979 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' LEU . 3.3 m-85 -94.78 -9.01 35.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.801 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.459 ' CG1' ' CD2' ' A' ' 67' ' ' LEU . 2.9 p -39.11 -25.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.219 -0.925 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 2.0 mm? -86.66 -43.44 12.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.605 -1.31 . . . . 0.0 108.067 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' PHE . 6.3 ttpt -53.57 -28.1 30.11 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.401 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.531 ' CB ' ' CH3' ' A' ' 0' ' ' ACE . 1.4 m -73.38 -30.15 63.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.868 -1.145 . . . . 0.0 109.942 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 5.7 m-30 -93.47 -17.83 23.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.181 -0.949 . . . . 0.0 110.982 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.633 ' O ' ' CB ' ' A' ' 72' ' ' ALA . . . -132.12 -34.09 1.28 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.725 -1.235 . . . . 0.0 110.359 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.633 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . 98.59 -44.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.62 36.13 0.57 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.24 -78.61 0.96 Allowed Glycine 0 N--CA 1.486 1.97 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.325 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.538 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 9.3 mmm-85 -90.59 -70.16 0.69 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -1.213 . . . . 0.0 111.566 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 5.3 t70 80.47 96.16 0.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' CG ' ' OG1' ' A' ' 82' ' ' THR . 3.6 mm? -37.58 153.97 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.538 0.685 . . . . 0.0 110.846 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.619 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -98.87 -23.5 15.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.522 -0.736 . . . . 0.0 110.222 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.619 ' CB ' ' O ' ' A' ' 78' ' ' THR . 87.0 m-20 124.76 -61.22 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 104.705 -2.332 . . . . 0.0 104.705 -177.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.36 90.82 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.522 ' OE1' ' NH1' ' A' ' 75' ' ' ARG . 26.3 mt-10 -61.85 -35.63 78.84 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.956 0.884 . . . . 0.0 108.839 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.5 ' OG1' ' CG ' ' A' ' 77' ' ' LEU . 6.8 m -75.02 -22.29 58.56 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -9.33 59.79 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.7 -47.46 8.23 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.541 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.43 81.79 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.56 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.526 -0.734 . . . . 0.0 110.485 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 9.57 13.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.056 -1.028 . . . . 0.0 110.355 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.35 -20.44 9.13 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.16 -31.3 6.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.511 -0.743 . . . . 0.0 110.937 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -86.18 99.17 11.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.733 -1.229 . . . . 0.0 109.4 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.98 -50.53 11.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -74.39 -7.3 52.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.457 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 53.66 56.46 20.14 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.9 -26.63 20.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.146 . . . . 0.0 109.463 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.63 -18.5 17.28 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 133.1 45.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.267 . . . . 0.0 110.079 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.468 ' O ' ' CE2' ' A' ' 47' ' ' PHE . 46.7 mm -92.73 105.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CE2' ' A' ' 47' ' ' PHE . . . -78.71 -175.21 45.75 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.681 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.2 mm -68.11 -70.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.219 -1.165 . . . . 0.0 110.423 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 99' ' ' ILE . 29.6 m-20 -39.14 -37.06 0.36 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.884 -1.135 . . . . 0.0 110.618 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -44.16 64.1 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 99' ' ' ILE . 10.4 t80 -67.77 -59.44 3.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.739 -0.6 . . . . 0.0 110.822 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 40' ' ' ALA . 69.8 tt0 -58.83 -16.99 19.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.581 -1.324 . . . . 0.0 110.376 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 m -86.2 -38.09 18.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.208 -0.932 . . . . 0.0 109.154 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -78.18 -53.66 7.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 109.793 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.94 -40.87 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.883 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -65.87 -35.57 81.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.032 -1.043 . . . . 0.0 109.914 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -88.24 -4.22 58.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.803 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.667 -179.81 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.77 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -112.56 -17.35 12.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.79 17.38 23.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 108.9 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -39.39 22.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.372 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 1.0 OUTLIER -64.63 -19.19 65.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.238 -0.914 . . . . 0.0 109.064 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.521 ' CG ' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -105.38 37.33 2.23 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.368 -0.832 . . . . 0.0 109.253 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -133.27 -169.28 2.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.487 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -104.28 -9.37 18.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.504 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 7' ' ' LYS . . . 79.89 -75.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.472 -0.768 . . . . 0.0 109.543 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.37 -20.9 63.53 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.259 -0.9 . . . . 0.0 109.56 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.437 ' OD2' ' O ' ' A' ' 33' ' ' VAL . 45.2 m-20 -71.51 -29.86 65.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.193 -0.942 . . . . 0.0 109.506 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mt -84.61 -26.67 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.542 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -13.38 57.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.66 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -46.02 8.41 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.296 -0.878 . . . . 0.0 108.826 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.47 ' CB ' ' CE1' ' A' ' 29' ' ' PHE . . . -69.34 -40.19 77.71 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.294 -0.879 . . . . 0.0 109.951 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mp -72.33 -35.53 68.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.254 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.52 -20.13 63.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.083 -1.011 . . . . 0.0 109.586 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.21 -17.01 26.74 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.45 -0.782 . . . . 0.0 109.422 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 20' ' ' ALA . 29.8 m -116.72 -10.63 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.235 -1.386 . . . . 0.0 112.925 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -36.04 -32.5 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.929 -1.107 . . . . 0.0 111.143 -178.59 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -49.05 175.75 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 109.665 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -102.9 68.78 1.02 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.173 0.987 . . . . 0.0 109.024 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.84 13.82 1.55 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 p -89.78 5.48 45.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.393 -1.063 . . . . 0.0 110.736 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.422 ' CE1' ' CG ' ' A' ' 29' ' ' PHE . 12.1 t80 -77.06 157.7 30.95 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.655 -1.278 . . . . 0.0 110.292 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -144.13 -33.68 0.4 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.589 -0.694 . . . . 0.0 109.611 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.592 ' ND1' ' CB ' ' A' ' 88' ' ' ALA . 1.2 p-80 100.68 -39.82 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 3.2 mttm -87.56 -41.66 13.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.325 -0.86 . . . . 0.0 108.854 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -32.63 66.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.539 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CE1' ' CB ' ' A' ' 14' ' ' ALA . 88.0 t80 -71.25 -65.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.199 -0.938 . . . . 0.0 109.832 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -60.37 -31.41 70.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.317 -0.865 . . . . 0.0 110.372 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 27' ' ' LYS . . . -58.54 -42.94 89.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.069 -1.019 . . . . 0.0 110.126 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' VAL . 2.3 mt -74.66 -60.83 2.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.02 -1.05 . . . . 0.0 110.123 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' ' N ' ' A' ' 34' ' ' GLY . 5.0 p -41.78 -45.88 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.535 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . 107.32 39.77 1.89 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.8 tp -95.95 14.29 24.07 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.051 -1.264 . . . . 0.0 108.699 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.75 4.23 52.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 110.806 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -177.01 39.5 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.626 -1.296 . . . . 0.0 110.7 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' ' OG ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -93.39 71.91 4.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.893 -1.129 . . . . 0.0 109.501 179.478 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 38' ' ' MET . 0.8 OUTLIER 51.79 90.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.424 -0.797 . . . . 0.0 110.237 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -38.23 -40.37 0.51 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.452 -0.78 . . . . 0.0 110.695 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -50.76 69.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 109.154 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -67.38 -7.7 27.05 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 108.9 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.1 t -86.39 -40.54 14.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -28.58 65.83 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -74.41 -34.04 63.16 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.91 -45.04 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.667 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.6 t80 -60.93 -51.54 68.86 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -40.95 -32.24 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -81.03 -42.15 21.54 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 47' ' ' PHE . 35.1 mm -54.73 -27.0 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.121 -0.987 . . . . 0.0 109.444 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 57' ' ' PHE . 13.6 t70 -84.54 49.91 1.79 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.85 0.833 . . . . 0.0 108.888 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . -29.37 -47.4 0.06 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.1 p30 -86.8 38.04 0.78 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.387 -1.446 . . . . 0.0 111.18 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . 27.77 43.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.966 -0.458 . . . . 0.0 111.857 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 27.6 p -98.61 17.34 19.38 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.777 -1.202 . . . . 0.0 108.114 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 57.54 16.28 21.37 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 48.9 m-85 -149.0 149.18 30.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -1.128 . . . . 0.0 111.223 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.504 ' CG1' ' CE2' ' A' ' 47' ' ' PHE . 7.3 mm -88.49 108.39 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.76 160.66 17.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.921 -1.112 . . . . 0.0 110.257 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.41 -38.21 41.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.58 -34.05 76.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -71.96 -28.7 63.61 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.6 mt -68.38 -37.85 80.81 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -44.83 95.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.826 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 67' ' ' LEU . 5.6 m-85 -99.58 6.27 45.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 109.465 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.3 p -36.68 -27.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.507 -0.746 . . . . 0.0 111.284 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -98.91 42.13 1.11 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.668 -1.27 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -101.12 -21.99 14.82 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.3 m -81.6 -19.89 40.93 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -92.97 -20.54 20.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.525 -0.734 . . . . 0.0 109.117 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.62 ' O ' ' CB ' ' A' ' 72' ' ' ALA . . . -145.59 -28.76 0.44 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.282 -0.886 . . . . 0.0 110.745 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.62 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . 93.55 -38.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.36 33.34 0.57 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.26 -76.95 0.93 Allowed Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -85.5 112.29 20.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -1.184 . . . . 0.0 110.715 -178.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' LEU . 2.9 m-20 -111.05 92.32 4.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' ASP . 6.7 mt -39.06 141.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.75 0.786 . . . . 0.0 110.75 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.639 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.13 -19.46 34.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.794 -0.566 . . . . 0.0 110.327 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' A' ' 78' ' ' THR . 12.9 t0 127.26 -61.58 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.57 72.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -67.39 -29.66 69.24 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.998 0.904 . . . . 0.0 109.009 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -76.36 -25.59 54.82 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -82.42 -13.04 57.45 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -50.44 6.01 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.93 -45.66 89.83 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.33 -37.12 82.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.537 -0.727 . . . . 0.0 110.31 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -81.87 -9.68 59.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.938 -1.101 . . . . 0.0 110.41 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.592 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . . . -113.4 -8.23 13.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.135 -0.978 . . . . 0.0 108.625 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.78 -34.97 7.92 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.548 -0.72 . . . . 0.0 109.304 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -93.74 -168.6 1.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.249 -0.907 . . . . 0.0 109.145 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 tttt 172.51 -52.21 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 94' ' ' ASP . 25.2 p-10 -52.63 -21.5 4.02 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.177 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.28 23.81 42.72 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.426 -1.069 . . . . 0.0 110.426 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' CG ' ' OD2' ' A' ' 92' ' ' ASP . 17.5 p-10 -93.87 -26.78 16.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.986 -1.302 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.47 -12.9 59.93 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -120.48 125.71 48.57 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -1.153 . . . . 0.0 109.377 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 2.7 mp -91.96 102.1 13.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.387 -0.821 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.43 -166.36 4.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.667 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 12.4 mm -70.0 -72.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.22 -1.164 . . . . 0.0 110.064 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -38.74 -39.28 0.49 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.209 -0.932 . . . . 0.0 110.187 -178.429 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -46.06 74.96 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 99' ' ' ILE . 47.5 t80 -66.8 -57.4 7.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.722 -0.611 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 103' ' ' GLU . 43.1 tt0 -66.81 -5.98 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.761 -1.212 . . . . 0.0 110.388 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.8 m -90.65 -55.38 3.6 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.536 ' CD2' ' O ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -75.14 -11.35 60.06 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.351 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 102' ' ' PHE . 51.3 t -90.02 -33.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -89.03 -15.69 33.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.245 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -107.82 27.86 8.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.505 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.445 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 1.2 pttt -67.9 -39.44 83.6 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.243 -0.911 . . . . 0.0 108.76 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.437 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 4.7 m-20 -86.41 -12.9 47.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.843 . . . . 0.0 109.148 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.82 7.72 35.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.43 -0.794 . . . . 0.0 109.422 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 11' ' ' ILE . 8.6 mt -115.95 -167.8 1.32 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 109.481 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.726 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -99.85 -6.25 27.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.642 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 79.28 -75.75 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.851 . . . . 0.0 110.099 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.61 -25.72 62.95 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -67.41 -31.9 72.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.041 -1.037 . . . . 0.0 109.265 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.635 HG22 HD13 ' A' ' 15' ' ' LEU . 3.4 mt -79.16 -21.32 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.436 -0.79 . . . . 0.0 109.258 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 4.1 mtpt -79.45 -20.71 46.77 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.258 -0.902 . . . . 0.0 109.968 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -87.08 -40.71 14.43 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.042 -1.036 . . . . 0.0 109.258 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HB1' ' CD2' ' A' ' 29' ' ' PHE . . . -67.86 -53.25 28.22 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 121.023 -1.048 . . . . 0.0 110.044 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.635 HD13 HG22 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -62.23 -34.3 76.23 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.541 -0.724 . . . . 0.0 110.021 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 18.2 m-20 -70.42 -19.96 62.95 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.92 -1.112 . . . . 0.0 109.73 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.22 -21.95 20.86 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.334 -0.854 . . . . 0.0 109.628 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 20' ' ' ALA . 16.7 m -109.06 -15.89 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.503 -1.279 . . . . 0.0 112.29 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.2 mttt -32.8 -31.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.336 -0.853 . . . . 0.0 111.699 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB3' ' CB ' ' A' ' 23' ' ' SER . . . -47.06 173.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.985 -1.072 . . . . 0.0 109.403 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -99.73 69.26 1.58 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.432 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.532 ' HA2' ' CG ' ' A' ' 81' ' ' GLU . . . 131.59 12.45 1.99 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.791 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 86.8 p -93.55 5.4 51.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.525 -0.986 . . . . 0.0 110.918 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 18.7 t80 -91.56 139.62 30.53 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.632 -1.293 . . . . 0.0 110.338 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.694 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 3.3 m120 -117.7 -64.71 1.26 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.694 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 43.6 p-80 140.92 -28.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HG3' ' NE2' ' A' ' 26' ' ' HIS . 31.9 mtmt -85.28 -53.43 5.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.378 -0.826 . . . . 0.0 110.468 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -67.75 -27.66 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.024 -1.048 . . . . 0.0 109.861 -179.171 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.76 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 28.2 t80 -73.18 -63.71 1.13 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.175 -0.953 . . . . 0.0 110.004 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 44.0 m-85 -58.34 -39.34 79.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.05 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB2' ' OXT' ' A' ' 109' ' ' ALA . . . -61.76 -28.02 69.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.076 -1.015 . . . . 0.0 109.193 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 13' ' ' LYS . 2.4 mt -80.93 -63.72 1.34 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 109.562 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -43.34 -45.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 109.488 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 31.88 3.98 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.158 -1.02 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.822 HD23 HG13 ' A' ' 106' ' ' VAL . 14.5 tp -71.03 -31.0 67.36 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.814 -1.404 . . . . 0.0 109.381 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -67.86 -28.86 67.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.143 -0.973 . . . . 0.0 109.525 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 36' ' ' LYS . . . -59.42 -33.25 71.02 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.106 -0.996 . . . . 0.0 109.483 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.41 ' HG3' ' HB3' ' A' ' 42' ' ' ASP . 1.1 tpp -54.77 167.6 0.36 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.162 -0.961 . . . . 0.0 109.485 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.8 p -97.08 145.11 26.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.548 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.04 -40.92 0.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.647 -0.658 . . . . 0.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -67.98 -52.87 30.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.2 m-20 -67.67 -6.02 18.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.055 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 39' ' ' SER . 64.7 t -88.46 -41.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.025 ' HG3' HG21 ' A' ' 99' ' ' ILE . 4.5 ttmt -61.24 -24.03 66.07 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -80.93 -30.83 35.24 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 42' ' ' ASP . 55.9 t -70.76 -38.01 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.209 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.742 ' CD2' HD11 ' A' ' 58' ' ' ILE . 1.5 t80 -68.41 -49.99 56.09 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -44.9 -31.03 1.11 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HB1' ' OG ' ' A' ' 69' ' ' SER . . . -79.05 -40.95 29.99 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.756 HG22 HG23 ' A' ' 58' ' ' ILE . 31.2 mm -55.41 -33.83 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 121.074 -1.017 . . . . 0.0 108.459 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.508 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 25.4 t0 -60.72 83.98 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.868 0.842 . . . . 0.0 109.48 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -61.33 -49.05 78.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.911 -0.493 . . . . 0.0 111.746 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.6 p30 -88.69 29.94 0.96 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.654 -1.279 . . . . 0.0 111.216 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.508 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 40.15 41.54 0.98 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.155 -0.965 . . . . 0.0 110.812 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.483 ' O ' ' OG ' ' A' ' 55' ' ' SER . 3.9 t -112.81 34.58 4.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.892 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 39.0 36.08 0.46 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 15.6 m-85 -150.17 153.86 37.03 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.301 -1.117 . . . . 0.0 110.825 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.756 HG23 HG22 ' A' ' 50' ' ' ILE . 1.8 mm -109.11 98.37 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -88.05 172.51 9.48 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.004 -1.06 . . . . 0.0 110.434 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HG3' HD13 ' A' ' 86' ' ' LEU . 28.9 mp0 -51.05 -40.05 57.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.601 -0.687 . . . . 0.0 109.905 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 64' ' ' LYS . 3.1 tp10 -61.82 -34.54 76.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.977 -1.077 . . . . 0.0 109.54 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -63.31 -46.01 88.68 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.618 HD22 ' CG ' ' A' ' 85' ' ' PHE . 43.5 mt -50.71 -40.82 55.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.542 ' O ' HD23 ' A' ' 77' ' ' LEU . 25.3 tptt -55.75 -43.69 76.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -0.831 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 74.5 m-85 -112.12 25.81 11.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 0.0 109.394 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.535 HG13 ' CD2' ' A' ' 67' ' ' LEU . 4.1 p -45.33 -41.4 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.465 -0.772 . . . . 0.0 111.458 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.017 HD12 ' HB2' ' A' ' 75' ' ' ARG . 1.5 mt -90.44 38.11 0.93 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.564 -1.335 . . . . 0.0 109.331 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -84.13 -38.38 20.79 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.477 -0.764 . . . . 0.0 108.992 179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.489 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 4.5 m -58.32 -27.66 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.306 -0.871 . . . . 0.0 108.965 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.56 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.3 m-30 -89.11 -27.63 20.62 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 68' ' ' LYS . . . -157.91 116.41 3.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.577 -0.702 . . . . 0.0 109.197 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.89 -38.19 1.49 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.431 -0.793 . . . . 0.0 109.096 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.454 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 10.2 t70 -142.79 61.85 1.41 Allowed 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -85.06 -86.4 0.94 Allowed Glycine 0 N--CA 1.485 1.903 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 1.017 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.7 mmm180 -91.4 111.73 23.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.991 . . . . 0.0 110.174 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 3.6 m-20 -90.24 105.22 17.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 108.792 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 82' ' ' THR . 4.0 mm? -41.1 150.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 0.0 110.397 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -95.83 -6.54 39.2 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.472 -0.767 . . . . 0.0 109.153 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.2 t0 105.9 -62.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 105.75 -1.945 . . . . 0.0 105.75 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.96 88.99 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.532 ' CG ' ' HA2' ' A' ' 22' ' ' GLY . 49.2 mt-10 -62.72 -25.63 68.27 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.866 0.841 . . . . 0.0 109.524 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.616 ' N ' HD12 ' A' ' 77' ' ' LEU . 9.0 m -84.43 -22.13 30.49 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 1.1 tmtm? -82.21 -13.62 56.82 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.43 -51.7 5.78 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.618 ' CG ' HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -51.82 -47.81 64.16 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.168 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.571 HD13 ' HG3' ' A' ' 60' ' ' GLU . 40.6 tp -60.92 -47.9 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.568 -0.708 . . . . 0.0 110.822 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 25.5 pttt -86.69 6.45 31.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.82 -1.175 . . . . 0.0 110.944 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.51 -19.77 12.0 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.852 -1.155 . . . . 0.0 108.49 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.48 ' HA ' ' HG ' ' A' ' 105' ' ' LEU . . . -110.68 -37.35 5.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.542 -0.724 . . . . 0.0 110.081 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.46 ' HA ' HD11 ' A' ' 97' ' ' ILE . 12.3 t0 -66.08 91.55 0.16 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.081 -1.012 . . . . 0.0 109.669 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -51.48 11.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.92 . . . . 0.0 109.331 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -66.43 -14.07 61.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.263 -0.898 . . . . 0.0 109.472 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.52 42.77 99.83 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -95.37 -30.13 14.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -1.154 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.0 -5.37 23.87 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -138.43 127.19 23.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.121 -1.223 . . . . 0.0 109.603 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' A' ' 101' ' ' GLU . 49.8 mm -93.73 100.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.406 -0.809 . . . . 0.0 109.781 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.56 -160.9 2.0 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 1.025 HG21 ' HG3' ' A' ' 44' ' ' LYS . 11.6 mm -72.18 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.977 -1.308 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 70.3 m-20 -37.24 -37.75 0.19 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.726 ' HB3' HG23 ' A' ' 97' ' ' ILE . 1.5 tm-20 -69.65 -47.15 64.34 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.947 ' O ' HG23 ' A' ' 106' ' ' VAL . 59.9 t80 -66.54 -56.67 9.73 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.725 -0.61 . . . . 0.0 111.049 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.498 ' CG ' HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -60.08 -18.83 49.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.65 -1.281 . . . . 0.0 109.788 -179.311 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -82.2 -29.18 31.58 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -90.31 -15.82 30.45 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 102' ' ' PHE . 16.7 t -84.61 -29.58 6.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.42 -0.8 . . . . 0.0 109.06 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 4.5 m80 -88.0 -32.36 18.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.791 . . . . 0.0 109.577 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.02 14.18 12.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 0.0 109.36 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' ' 30' ' ' PHE . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.424 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.515 ' HB3' ' HA ' ' A' ' 70' ' ' PHE . 10.0 ptmt -76.18 -26.58 56.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.138 -0.976 . . . . 0.0 109.12 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.448 ' OD1' ' HE2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -107.84 -10.19 15.6 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.435 -0.791 . . . . 0.0 109.447 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.966 ' CD2' HD23 ' A' ' 6' ' ' LEU . 6.9 tt -89.4 -43.24 11.03 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.853 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.966 HD23 ' CD2' ' A' ' 5' ' ' LEU . 3.4 pp -151.99 144.51 24.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.0 110.951 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.923 ' O ' HD12 ' A' ' 11' ' ' ILE . 8.9 mptt 64.51 32.97 11.33 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 121.39 -0.819 . . . . 0.0 110.356 178.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.64 68.74 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.62 -34.92 23.02 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.297 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 11.9 m-20 -65.46 -36.01 82.6 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 7' ' ' LYS . 2.8 mt -55.38 -46.39 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.61 -34.51 26.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.779 -0.576 . . . . 0.0 110.196 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -85.08 -25.45 27.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.958 -1.089 . . . . 0.0 109.583 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -73.09 -34.26 66.09 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.963 -1.086 . . . . 0.0 110.231 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD23 ' HG2' ' A' ' 75' ' ' ARG . 3.6 mt -74.89 -45.16 44.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.574 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -17.57 54.17 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.43 -0.794 . . . . 0.0 108.919 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.81 -30.18 26.75 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.61 HG21 ' HD2' ' A' ' 24' ' ' PHE . 25.6 m -132.07 29.98 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.204 -0.935 . . . . 0.0 111.678 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' LEU . 6.9 tttm -59.67 -29.54 68.13 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.518 -1.364 . . . . 0.0 111.134 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.765 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -55.84 174.07 0.12 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.897 -1.127 . . . . 0.0 109.895 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 0.9 OUTLIER -98.57 69.17 1.87 Allowed 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 122.113 0.959 . . . . 0.0 109.048 179.735 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.46 9.31 1.04 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.765 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 3.0 p -89.89 10.55 23.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -1.14 . . . . 0.0 109.95 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.61 ' HD2' HG21 ' A' ' 18' ' ' VAL . 33.9 t80 -82.21 143.24 31.52 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.084 -1.01 . . . . 0.0 110.412 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 8.2 m-20 -125.46 -30.68 3.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.524 -0.735 . . . . 0.0 109.139 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER 97.68 -39.16 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.382 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.823 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 12.1 mtpp -90.84 -37.06 13.85 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 109.131 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.677 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -77.21 -35.8 55.37 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.213 -0.929 . . . . 0.0 108.797 179.516 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.703 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 89.9 t80 -66.99 -60.01 3.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.475 -0.766 . . . . 0.0 109.263 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' O ' HG12 ' A' ' 33' ' ' VAL . 48.4 m-85 -66.32 -31.84 72.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.419 -0.801 . . . . 0.0 109.577 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.823 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -48.66 -50.18 34.19 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.061 -1.024 . . . . 0.0 109.225 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -74.22 -45.54 47.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 110.127 -179.631 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.635 HG22 ' CG ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -44.27 -49.74 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.095 -1.003 . . . . 0.0 110.136 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.544 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . 104.36 27.26 6.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.572 ' HG ' ' CG1' ' A' ' 106' ' ' VAL . 4.7 tp -101.94 19.05 19.12 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 120.852 -1.381 . . . . 0.0 109.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.575 ' CE ' ' HB2' ' A' ' 37' ' ' ALA . 3.5 ttpt -84.03 -19.05 35.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 111.204 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.575 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -133.16 29.23 4.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.443 -1.41 . . . . 0.0 110.581 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.858 ' HB3' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -65.02 157.65 27.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.883 -1.136 . . . . 0.0 108.989 179.436 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 1.004 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -64.82 117.68 7.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.986 . . . . 0.0 109.533 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.27 -28.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.631 -0.668 . . . . 0.0 111.297 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 t30 -74.06 -58.76 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.789 -1.194 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 46' ' ' VAL . 5.9 m-20 -69.34 -4.97 20.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.24 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 39' ' ' SER . 17.6 t -89.07 -43.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.607 ' HG2' HG21 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -61.22 -24.94 66.72 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -77.96 -31.45 50.86 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.653 HG22 HD21 ' A' ' 6' ' ' LEU . 39.6 t -67.26 -47.41 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.0 t80 -58.49 -52.14 66.9 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -43.6 -31.49 0.76 Allowed 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 179.304 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -75.12 -45.22 42.45 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.032 ' CG2' HD12 ' A' ' 58' ' ' ILE . 41.7 mm -53.71 -32.17 20.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.482 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 12.3 t0 -61.4 83.18 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.523 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.506 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . . . -44.34 -69.98 0.12 Allowed 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.532 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 55' ' ' SER . 1.9 p30 -89.55 22.15 3.12 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.978 -1.076 . . . . 0.0 111.185 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.482 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 48.59 59.96 4.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 110.761 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.7 p -116.1 36.03 4.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.68 22.17 1.74 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 49.6 m-85 -151.82 142.5 22.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -1.216 . . . . 0.0 110.638 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.032 HD12 ' CG2' ' A' ' 50' ' ' ILE . 3.6 mm -89.38 114.81 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.87 167.26 13.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.79 -1.194 . . . . 0.0 110.719 -177.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 63' ' ' LEU . 9.3 mt-10 -53.79 -36.6 62.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.713 -0.617 . . . . 0.0 109.549 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -33.82 75.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 109.745 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HG3' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -66.73 -42.74 85.79 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 60' ' ' GLU . 59.3 mt -54.7 -39.3 68.04 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.935 ' O ' HD23 ' A' ' 77' ' ' LEU . 5.7 mttt -57.32 -41.43 79.93 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 64' ' ' LYS . 26.5 m-85 -115.28 33.69 5.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.388 -0.82 . . . . 0.0 109.381 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.786 HG13 ' HG ' ' A' ' 67' ' ' LEU . 2.7 p -39.46 -32.75 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.865 . . . . 0.0 111.25 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.989 HD12 ' HB2' ' A' ' 75' ' ' ARG . 5.8 mt -103.77 44.06 1.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.577 -1.327 . . . . 0.0 109.775 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 11.3 ttpt -85.12 -40.11 17.14 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -63.69 -21.28 66.31 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.515 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 19.7 m-30 -89.51 -22.63 22.34 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -164.8 117.63 1.26 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.87 -37.55 1.32 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.331 -0.856 . . . . 0.0 109.087 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -143.88 62.22 1.36 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -88.15 -85.08 1.21 Allowed Glycine 0 N--CA 1.486 2.013 0 C-N-CA 119.955 -1.117 . . . . 0.0 110.319 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.989 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.0 mmm180 -90.96 112.77 24.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -1.094 . . . . 0.0 110.723 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.26 116.87 27.81 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 64' ' ' LYS . 3.1 mm? -62.7 151.67 37.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.983 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -97.09 -23.1 16.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.368 -0.833 . . . . 0.0 110.277 -179.298 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 10.2 t70 121.33 -62.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.55 87.72 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.621 ' HB3' HD13 ' A' ' 77' ' ' LEU . 31.4 tt0 -61.03 -36.47 79.63 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.094 0.95 . . . . 0.0 108.576 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.746 ' N ' HD12 ' A' ' 77' ' ' LEU . 21.0 m -77.84 -20.65 52.73 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -77.97 -10.89 59.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.79 -50.25 6.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' HB3' HD22 ' A' ' 63' ' ' LEU . 1.3 t80 -58.93 -47.82 83.68 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.48 -42.76 99.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.571 -0.706 . . . . 0.0 110.112 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -80.18 4.7 16.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.104 -0.997 . . . . 0.0 110.107 -179.255 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.648 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -119.82 -15.9 8.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.106 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.58 15.43 7.6 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.545 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.43 ' OD2' ' HA2' ' A' ' 93' ' ' GLY . 5.9 t70 -132.86 63.64 1.63 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.937 . . . . 0.0 109.238 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.34 -44.22 83.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.299 -0.876 . . . . 0.0 109.713 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' ' OD1' ' A' ' 94' ' ' ASP . 44.0 p-10 -63.34 -14.98 55.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.192 -0.943 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.43 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 62.07 40.06 98.43 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 96' ' ' LYS . 9.4 p-10 -96.68 -7.24 34.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -1.167 . . . . 0.0 109.771 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.446 ' C ' ' HG3' ' A' ' 96' ' ' LYS . . . 74.56 15.52 80.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HG3' ' C ' ' A' ' 95' ' ' GLY . 0.2 OUTLIER -149.33 124.64 10.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -1.169 . . . . 0.0 109.767 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.568 ' O ' HG12 ' A' ' 58' ' ' ILE . 2.8 mp -100.35 101.63 12.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 0.0 109.06 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.96 -165.42 3.97 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 9.5 mm -72.01 -72.24 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.281 -1.129 . . . . 0.0 109.762 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.505 ' C ' ' O ' ' A' ' 99' ' ' ILE . 19.8 p-10 -37.53 -36.87 0.18 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.999 -1.063 . . . . 0.0 110.619 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -73.03 -44.99 60.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.896 -1.127 . . . . 0.0 107.985 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.578 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 47.0 t80 -67.69 -52.94 31.95 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.79 -0.569 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.639 ' CG ' ' CE1' ' A' ' 107' ' ' HIS . 31.0 tt0 -70.05 -9.69 56.2 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.659 -1.276 . . . . 0.0 110.589 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 2.0 m -90.41 -56.28 3.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.628 -1.295 . . . . 0.0 108.197 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -44.19 91.62 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.973 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.572 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 95.4 t -59.43 -41.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.445 -0.784 . . . . 0.0 108.891 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.639 ' CE1' ' CG ' ' A' ' 103' ' ' GLU . 28.7 m170 -74.16 -16.77 60.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.528 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -100.39 39.87 1.31 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.426 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 70' ' ' PHE . 9.8 mtpt -89.98 -10.3 45.51 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.281 -0.887 . . . . 0.0 109.735 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.49 -23.11 65.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 42' ' ' ASP . 15.4 tp -89.34 -41.13 12.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 108.709 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.971 HD12 HD11 ' A' ' 11' ' ' ILE . 1.5 pp -146.03 137.83 25.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' CA ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -168.15 37.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.92 -1.113 . . . . 0.0 110.156 -179.63 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.536 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -147.86 -122.26 0.06 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.992 -1.067 . . . . 0.0 110.205 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -60.64 -14.33 19.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.768 -1.207 . . . . 0.0 109.643 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 22.2 m-20 -75.15 -32.09 61.21 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.304 -0.873 . . . . 0.0 109.363 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.971 HD11 HD12 ' A' ' 6' ' ' LEU . 2.5 mp -91.3 -21.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.687 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 3.3 mmtm -82.23 -22.82 35.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.828 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HB3' HD23 ' A' ' 32' ' ' LEU . 2.6 mtpt -90.67 -48.22 7.19 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.165 -0.959 . . . . 0.0 108.82 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.604 ' CB ' HG13 ' A' ' 33' ' ' VAL . . . -60.49 -46.46 90.02 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.324 -0.86 . . . . 0.0 110.21 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.762 HD21 HD21 ' A' ' 67' ' ' LEU . 3.3 mm? -67.61 -45.39 75.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 0.0 109.442 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 11.6 m-20 -63.72 -18.32 63.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.11 -0.993 . . . . 0.0 108.964 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.29 -25.83 31.2 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.559 ' CG1' ' HA ' ' A' ' 24' ' ' PHE . 9.9 m -133.63 27.14 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.116 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' LEU . 9.0 tptp -65.41 -23.25 66.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.311 -1.493 . . . . 0.0 111.089 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 23' ' ' SER . . . -64.82 172.42 2.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.066 -1.021 . . . . 0.0 110.217 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HB3' ' OG1' ' A' ' 78' ' ' THR . 3.6 mt-10 -98.59 70.63 1.94 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.098 0.951 . . . . 0.0 109.135 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.7 5.62 0.9 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 24.6 p -103.99 24.57 11.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -1.147 . . . . 0.0 109.626 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.594 ' CE1' ' N ' ' A' ' 26' ' ' HIS . 42.2 t80 -90.43 142.49 27.68 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.011 -1.056 . . . . 0.0 110.395 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 27' ' ' LYS . 6.2 t-20 -140.86 90.49 2.34 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.1 p-80 -31.26 -34.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.826 -0.547 . . . . 0.0 111.535 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.602 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.077 -1.014 . . . . 0.0 110.586 -179.094 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 7.7 mmpt? -69.95 -51.68 30.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.963 -1.086 . . . . 0.0 109.944 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 1.013 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 52.1 t80 -48.59 -65.3 0.59 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 110.097 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' HA ' HG22 ' A' ' 33' ' ' VAL . 41.8 m-85 -62.18 -35.03 77.59 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.474 -0.766 . . . . 0.0 110.285 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -60.76 -22.91 64.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.979 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 13' ' ' LYS . 1.1 tp -88.78 -60.54 1.93 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 14' ' ' ALA . 6.2 m -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.521 ' H ' HG23 ' A' ' 33' ' ' VAL . . . 144.28 -29.71 1.9 Allowed Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.57 -1.3 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.135 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -43.16 -29.85 0.41 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -1.182 . . . . 0.0 111.119 -179.316 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CE ' ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -39.02 -27.51 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.134 -0.979 . . . . 0.0 110.522 -179.035 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -177.04 65.68 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.905 -1.122 . . . . 0.0 109.683 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 tpt -87.65 -68.24 0.77 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.253 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 43' ' ' VAL . 51.5 p -172.79 113.75 0.26 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.192 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -32.98 -33.9 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.808 -0.557 . . . . 0.0 111.568 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' SER . 10.6 t-20 -74.25 -58.31 3.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.79 -1.194 . . . . 0.0 110.092 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.811 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.5 m-20 -71.67 -1.85 15.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.097 -1.002 . . . . 0.0 109.689 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 39' ' ' SER . 49.2 t -92.77 -46.86 14.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.728 ' HG2' HG21 ' A' ' 99' ' ' ILE . 11.2 mtpt -64.73 -22.46 66.99 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -30.66 54.74 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.135 HG21 HD21 ' A' ' 35' ' ' LEU . 41.0 t -64.16 -48.26 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.777 ' CG ' HD13 ' A' ' 99' ' ' ILE . 1.6 t80 -60.32 -51.3 70.13 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -44.05 -27.88 0.42 Allowed 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.605 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -82.28 -42.1 19.27 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.859 HG22 HG23 ' A' ' 58' ' ' ILE . 35.4 mm -55.75 -30.05 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 56' ' ' GLY . 33.2 t0 -71.18 78.45 0.7 Allowed 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.87 0.843 . . . . 0.0 109.311 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -52.94 -50.34 64.24 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.408 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' ALA . 40.4 p30 -88.54 24.25 2.01 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.711 -1.243 . . . . 0.0 110.774 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . 36.56 54.0 1.07 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.478 -0.764 . . . . 0.0 110.908 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.4 p -118.95 39.07 3.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.114 -0.991 . . . . 0.0 108.524 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 51' ' ' ASP . . . 42.43 29.92 0.77 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 55' ' ' SER . 45.9 m-85 -150.98 147.85 27.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.974 -1.309 . . . . 0.0 111.129 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.859 HG23 HG22 ' A' ' 50' ' ' ILE . 3.8 mm -101.26 110.3 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' OE1' ' OE2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -88.8 156.31 19.04 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.879 -1.138 . . . . 0.0 109.927 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 86' ' ' LEU . 45.9 mt-10 -51.46 -35.67 40.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 0.0 109.618 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.71 84.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.25 -0.907 . . . . 0.0 110.004 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' A' ' 52' ' ' ALA . 4.4 mt-10 -66.8 -40.66 88.18 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 85' ' ' PHE . 26.7 mt -53.19 -33.55 53.17 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.46 -54.87 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.807 . . . . 0.0 109.178 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' LEU . 38.7 m-85 -90.04 14.47 12.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.089 -1.007 . . . . 0.0 108.996 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.0 p -37.46 -26.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.65 -0.656 . . . . 0.0 111.639 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.013 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -117.34 46.62 1.67 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.409 -1.432 . . . . 0.0 111.137 -178.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -98.54 -24.59 15.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.022 -1.049 . . . . 0.0 108.243 178.364 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.532 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 3.8 m -72.85 -25.86 61.26 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.731 ' CE1' HD11 ' A' ' 6' ' ' LEU . 92.9 m-85 -89.08 -20.62 24.1 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.648 ' HB3' ' HA3' ' A' ' 74' ' ' GLY . . . -170.18 125.98 0.79 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -42.45 -32.35 0.53 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.273 -0.892 . . . . 0.0 109.149 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.35 49.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.648 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -70.64 -72.84 0.84 Allowed Glycine 0 N--CA 1.488 2.105 0 N-CA-C 110.451 -1.059 . . . . 0.0 110.451 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.505 ' HB2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -87.47 -64.88 1.08 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -1.176 . . . . 0.0 110.243 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.474 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 4.9 t70 66.9 108.22 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.974 . . . . 0.0 108.875 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 81' ' ' GLU . 3.0 mm? -60.18 153.36 22.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -98.96 -7.09 27.54 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.439 -0.788 . . . . 0.0 109.732 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 34.0 t0 108.26 -61.79 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.05 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.713 ' HB2' HD13 ' A' ' 77' ' ' LEU . 45.6 mt-10 -65.6 -18.05 65.04 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.601 0.715 . . . . 0.0 110.058 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.712 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.0 m -84.69 -24.53 28.92 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -82.2 -16.62 49.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.18 -51.38 6.33 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -54.65 -46.32 73.97 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.499 0.666 . . . . 0.0 109.209 179.149 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 60' ' ' GLU . 24.1 tp -63.41 -41.19 98.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.627 -0.67 . . . . 0.0 110.559 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.468 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -69.37 -9.92 55.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.95 -1.093 . . . . 0.0 110.127 -179.227 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.539 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -114.21 -12.69 12.45 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.068 -1.02 . . . . 0.0 108.825 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' A' ' 97' ' ' ILE . . . -95.07 -21.73 18.36 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.396 -0.815 . . . . 0.0 109.277 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.5 t70 -104.56 -176.74 3.17 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.935 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 15.0 ttmm 173.74 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -68.03 -11.08 58.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.312 -0.868 . . . . 0.0 109.198 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.28 10.28 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -110.0 5.28 22.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -1.21 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.21 22.16 6.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HD2' ' CG ' ' A' ' 57' ' ' PHE . 2.0 ttmm -145.22 141.83 29.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -1.162 . . . . 0.0 109.552 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' A' ' 89' ' ' ALA . 2.5 mp -114.68 99.51 8.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.554 -0.716 . . . . 0.0 109.416 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.76 -164.47 3.4 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.132 -1.987 . . . . 0.0 108.132 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.777 HD13 ' CG ' ' A' ' 47' ' ' PHE . 11.1 mm -70.03 -77.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.015 -1.285 . . . . 0.0 110.467 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.4 t0 -39.94 -38.12 0.66 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.032 -1.042 . . . . 0.0 110.612 -177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.59 -42.62 74.2 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.229 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 1.029 ' O ' HG23 ' A' ' 106' ' ' VAL . 10.1 t80 -74.05 -54.17 8.41 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.608 -0.683 . . . . 0.0 111.523 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.779 ' OE1' HG12 ' A' ' 43' ' ' VAL . 24.0 mm-40 -69.96 -5.49 26.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.015 -1.053 . . . . 0.0 110.339 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.518 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.4 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -72.94 -32.57 65.35 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.235 -0.916 . . . . 0.0 109.259 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 102' ' ' PHE . 3.2 t -65.77 -40.55 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.363 -0.836 . . . . 0.0 109.391 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.771 ' NE2' HG11 ' A' ' 43' ' ' VAL . 40.0 m170 -72.38 -38.5 68.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.304 -0.872 . . . . 0.0 109.441 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 104' ' ' THR . 2.7 mt-10 -67.46 -18.88 65.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.365 -0.834 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.412 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.53 ' CB ' ' CE1' ' A' ' 70' ' ' PHE . . . . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -84.62 -31.71 24.1 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.584 -0.698 . . . . 0.0 109.381 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.6 -16.1 40.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tp -90.23 -40.22 12.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.159 -0.963 . . . . 0.0 110.048 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 2.6 pp -146.44 166.85 25.16 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.151 -0.968 . . . . 0.0 109.594 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' CA ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 162.96 40.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.44 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -146.11 -132.86 0.07 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.284 . . . . 0.0 111.283 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 14.5 m-20 -58.76 -15.04 10.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.967 -1.083 . . . . 0.0 110.044 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.23 -34.48 65.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.65 ' N ' HD12 ' A' ' 11' ' ' ILE . 4.8 mp -90.89 -27.18 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.14 -0.975 . . . . 0.0 109.599 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -81.19 -21.91 39.28 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.405 -0.809 . . . . 0.0 110.103 -179.507 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 2.1 mttm -90.12 -40.07 12.47 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.107 -0.996 . . . . 0.0 109.241 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.735 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -63.51 -50.28 70.2 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.038 -1.039 . . . . 0.0 110.217 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.0 mt -67.98 -43.94 77.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.931 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 8.6 m-20 -63.23 -17.43 62.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.889 -1.132 . . . . 0.0 109.119 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.25 -23.07 24.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 23' ' ' SER . 3.6 m -142.06 40.73 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 119.264 -0.975 . . . . 0.0 110.746 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 2.3 ttpt -90.19 -4.45 57.24 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.604 -1.31 . . . . 0.0 112.163 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.513 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -67.47 -172.41 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.512 -1.367 . . . . 0.0 109.921 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -98.89 67.51 1.67 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.078 0.942 . . . . 0.0 109.876 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 81' ' ' GLU . . . 134.17 8.25 2.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.783 ' O ' HG12 ' A' ' 18' ' ' VAL . 31.5 p -91.44 0.88 57.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -1.066 . . . . 0.0 111.233 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CE2' ' CG ' ' A' ' 29' ' ' PHE . 13.7 t80 -90.93 136.56 32.99 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 120.437 -1.415 . . . . 0.0 111.179 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.584 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 1.8 m-20 -120.86 -87.37 0.64 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 20.7 p-80 170.98 -28.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HG3' ' NE2' ' A' ' 26' ' ' HIS . 13.7 mtpp -84.54 -51.64 6.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.888 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HG2' ' N ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -70.06 -24.47 63.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.101 -0.999 . . . . 0.0 110.189 -178.768 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.735 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 94.6 t80 -76.55 -64.89 1.01 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.159 -0.963 . . . . 0.0 109.706 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.521 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 67.6 m-85 -60.86 -34.07 74.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 110.202 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 36' ' ' LYS . . . -64.88 -35.29 80.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.258 -0.901 . . . . 0.0 109.71 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -52.23 16.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.909 . . . . 0.0 109.919 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 2.0 p -51.96 -40.12 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 109.949 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 132.3 -24.78 3.93 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -36.69 -37.14 0.13 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.734 -0.862 . . . . 0.0 110.591 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -48.04 -56.47 7.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.133 -0.979 . . . . 0.0 109.885 -179.547 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.91 47.84 1.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 3.8 tpp -90.22 26.86 1.78 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.014 . . . . 0.0 109.453 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.963 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.0 p 60.56 116.87 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.297 -0.877 . . . . 0.0 109.717 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.49 -25.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.515 -0.741 . . . . 0.0 111.614 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 39' ' ' SER . 11.6 t-20 -73.79 -58.26 3.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.603 -1.311 . . . . 0.0 109.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.4 m-20 -71.38 -2.59 17.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 109.24 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 39' ' ' SER . 20.8 t -91.19 -44.4 14.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HG2' HG21 ' A' ' 99' ' ' ILE . 51.7 mtpt -65.35 -20.22 66.3 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -83.1 -31.11 27.44 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 42' ' ' ASP . 53.6 t -68.46 -40.29 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.6 t80 -65.75 -50.31 65.22 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -41.93 -30.01 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.117 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -82.72 -42.74 17.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 1.034 HG22 HG23 ' A' ' 58' ' ' ILE . 41.6 mm -53.58 -27.21 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.142 -0.974 . . . . 0.0 108.969 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' A' ' 55' ' ' SER . 6.2 t70 -85.21 55.42 3.49 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 122.225 1.012 . . . . 0.0 108.488 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -29.11 -47.94 0.06 Allowed 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' SER . 38.1 p30 -87.35 39.93 0.9 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.353 -1.467 . . . . 0.0 111.201 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 29.35 35.6 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.596 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.5 m -96.6 25.6 5.03 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.585 -1.322 . . . . 0.0 108.515 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.21 23.37 1.76 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 30.9 m-85 -145.07 142.17 29.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.365 -1.079 . . . . 0.0 110.743 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.034 HG23 HG22 ' A' ' 50' ' ' ILE . 10.6 mm -89.69 106.15 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.64 157.64 18.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.879 -1.138 . . . . 0.0 110.011 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.523 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -48.83 -51.53 29.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.458 -0.776 . . . . 0.0 109.849 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -56.1 -31.79 63.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.277 -0.89 . . . . 0.0 110.32 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.636 ' CG ' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -74.08 -35.5 64.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.048 -1.033 . . . . 0.0 108.631 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 60' ' ' GLU . 28.9 mt -53.2 -44.98 68.41 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' HD13 ' A' ' 77' ' ' LEU . 9.2 tttp -60.19 -48.31 82.26 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 10.4 m-85 -90.42 37.44 0.91 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.826 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.621 HG13 ' N ' ' A' ' 67' ' ' LEU . 9.9 p -56.61 -49.62 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.621 ' N ' HG13 ' A' ' 66' ' ' VAL . 34.9 mt -81.49 8.59 9.14 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.457 -1.402 . . . . 0.0 110.062 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -53.66 -43.93 69.24 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.439 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -68.28 -28.99 67.68 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.669 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 5.7 m-30 -89.68 -0.67 57.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 70' ' ' PHE . . . 165.28 133.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.245 -0.91 . . . . 0.0 109.086 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.11 -54.26 38.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.027 . . . . 0.0 108.802 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.03 51.95 0.93 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.537 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -75.57 -69.97 1.33 Allowed Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.281 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.598 ' HB2' HD12 ' A' ' 67' ' ' LEU . 45.1 tpt85 -83.66 -75.22 0.34 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.058 -1.26 . . . . 0.0 111.135 -178.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 9.6 t0 74.08 60.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.562 HD23 ' N ' ' A' ' 82' ' ' THR . 8.0 mp -42.73 165.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.66 0.743 . . . . 0.0 110.759 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.661 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -92.46 -19.62 21.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.661 ' CB ' ' O ' ' A' ' 78' ' ' THR . 35.1 t0 121.55 -60.73 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 -177.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.43 73.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.464 ' OE2' ' NH2' ' A' ' 75' ' ' ARG . 24.2 mt-10 -62.1 -33.6 74.74 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.172 0.986 . . . . 0.0 108.852 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.562 ' N ' HD23 ' A' ' 77' ' ' LEU . 5.9 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -10.32 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -49.12 6.77 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -57.27 -47.3 81.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.341 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.523 HD13 ' CG ' ' A' ' 60' ' ' GLU . 4.7 tp -63.81 -43.95 94.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.552 -0.717 . . . . 0.0 110.292 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.75 1.71 16.45 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.064 -1.022 . . . . 0.0 110.345 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' O ' HD21 ' A' ' 105' ' ' LEU . . . -120.95 -13.38 8.62 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 108.857 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.09 9.46 11.17 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.421 -0.8 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 94' ' ' ASP . 25.0 t0 -126.94 73.29 1.4 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 0.2 OUTLIER -74.3 -23.67 59.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.29 -0.882 . . . . 0.0 109.611 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 34.4 p30 -85.53 -5.62 59.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 109.564 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.439 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 57.47 48.13 83.15 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 96' ' ' LYS . 22.0 p-10 -120.68 16.93 11.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -1.151 . . . . 0.0 109.732 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 86' ' ' LEU . . . 47.18 31.13 5.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.497 ' HD2' ' CG ' ' A' ' 57' ' ' PHE . 7.1 ttpp -148.0 135.64 20.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -1.092 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.552 ' O ' HG12 ' A' ' 58' ' ' ILE . 3.2 mp -122.97 99.31 6.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.406 -0.809 . . . . 0.0 109.258 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.61 -164.32 6.38 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.772 HG21 ' HG2' ' A' ' 44' ' ' LYS . 5.7 mm -73.91 -71.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.188 -1.183 . . . . 0.0 109.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 99' ' ' ILE . 1.4 p30 -37.23 -35.86 0.12 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.914 -1.116 . . . . 0.0 110.613 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -73.15 -46.0 53.48 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.343 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CE2' HG21 ' A' ' 106' ' ' VAL . 47.9 t80 -68.76 -54.16 17.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.64 -0.663 . . . . 0.0 110.478 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 9.8 pt-20 -64.6 -11.48 35.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.759 -1.213 . . . . 0.0 110.627 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -85.98 -49.93 7.46 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.576 HD23 ' CD2' ' A' ' 26' ' ' HIS . 4.6 tp -69.72 -55.2 10.59 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.727 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' A' ' 102' ' ' PHE . 99.8 t -49.69 -37.73 12.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.726 -0.608 . . . . 0.0 109.706 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 7.6 m170 -70.48 -41.07 73.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.096 -1.003 . . . . 0.0 109.631 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -89.39 33.66 0.82 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 0.0 109.506 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.477 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.437 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.406 ' HB1' ' CZ ' ' A' ' 70' ' ' PHE . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 2.4 ptpt -90.05 -30.54 17.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.302 -0.874 . . . . 0.0 109.309 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.511 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 51.7 m-20 -87.76 -6.72 58.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.262 -0.898 . . . . 0.0 109.538 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.8 tt -91.81 5.23 50.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.155 -0.965 . . . . 0.0 109.681 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.487 ' CB ' HD11 ' A' ' 11' ' ' ILE . 3.7 mp -129.56 -166.87 1.72 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.522 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.72 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.9 mptp? -100.86 -4.19 28.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 83.95 -45.59 0.1 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.334 0.588 . . . . 0.0 109.766 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.58 -32.88 74.71 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.325 -0.859 . . . . 0.0 109.723 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 5.5 m-20 -69.01 -28.64 66.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.957 -1.089 . . . . 0.0 108.642 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.9 mp -80.18 -19.22 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 0.0 109.089 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -87.57 -13.51 42.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.811 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -90.55 -50.92 5.66 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.058 -1.026 . . . . 0.0 108.356 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.623 ' HB1' ' CD2' ' A' ' 29' ' ' PHE . . . -64.01 -34.85 78.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.274 -0.891 . . . . 0.0 110.124 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -77.29 -33.41 55.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.547 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 3.5 m-20 -74.88 -20.58 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.309 -0.87 . . . . 0.0 110.189 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.08 -20.7 21.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.074 -1.016 . . . . 0.0 109.496 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 14' ' ' ALA . 33.3 m -108.57 -20.61 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.827 -1.17 . . . . 0.0 111.861 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -31.02 -31.66 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.742 -0.599 . . . . 0.0 112.022 -178.07 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.827 ' HB3' ' HB3' ' A' ' 23' ' ' SER . . . -47.9 170.8 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.738 -1.227 . . . . 0.0 109.136 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -97.59 71.07 2.27 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.144 -1.022 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.1 16.32 1.77 Allowed Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.827 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 3.4 p -111.03 26.1 11.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.51 -0.994 . . . . 0.0 110.094 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 18.1 t80 -90.67 146.73 23.78 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.628 -1.295 . . . . 0.0 109.589 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.576 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -139.11 131.66 28.75 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.83 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.612 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 6.1 p80 -68.52 -33.03 73.42 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.241 . . . . 0.0 108.887 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.612 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -78.15 -50.73 11.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.486 -0.759 . . . . 0.0 110.575 -179.779 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.67 -48.76 71.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.086 -1.009 . . . . 0.0 110.023 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 38.6 t80 -54.08 -70.27 0.1 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.459 -0.775 . . . . 0.0 110.269 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -56.55 -32.65 65.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -56.72 -53.58 56.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.997 . . . . 0.0 109.488 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -37.02 85.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' PHE . 71.7 t -47.08 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 144.87 -35.88 1.46 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.775 ' CD2' HG11 ' A' ' 46' ' ' VAL . 32.2 tp -40.96 -27.08 0.05 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.535 -0.98 . . . . 0.0 110.399 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -43.52 -63.74 0.78 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.129 -0.982 . . . . 0.0 110.093 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.06 45.41 0.96 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.502 ' HB2' ' HA ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -80.61 -69.73 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.022 -1.049 . . . . 0.0 109.374 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.882 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.2 p 175.46 112.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.271 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.81 -30.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.747 -0.596 . . . . 0.0 111.434 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.9 t30 -76.62 -59.07 2.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.816 -1.178 . . . . 0.0 109.969 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' HB2' ' OG ' ' A' ' 39' ' ' SER . 51.6 m-20 -70.31 -3.1 15.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.035 -1.041 . . . . 0.0 109.637 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 39' ' ' SER . 44.4 t -90.55 -43.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -61.63 -23.98 66.41 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -78.27 -32.09 49.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.775 HG11 ' CD2' ' A' ' 35' ' ' LEU . 25.6 t -64.43 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -64.42 -50.47 67.46 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.764 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -42.46 -28.72 0.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.21 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -86.47 -40.39 15.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.433 -0.792 . . . . 0.0 109.196 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.891 HG22 HG23 ' A' ' 58' ' ' ILE . 42.2 mm -51.16 -36.74 16.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.78 66.42 9.62 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 53.31 0.83 Allowed 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.794 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -150.89 -90.2 0.06 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 178.797 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 169.05 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.198 -0.939 . . . . 0.0 111.366 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.615 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 91.4 p -146.24 33.22 0.99 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.722 -1.236 . . . . 0.0 109.515 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 30.5 36.52 0.02 OUTLIER Glycine 0 N--CA 1.5 2.924 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.3 m-85 -149.8 144.17 25.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -1.186 . . . . 0.0 110.687 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.891 HG23 HG22 ' A' ' 50' ' ' ILE . 9.3 mm -90.21 107.08 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.68 162.51 16.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.823 -1.173 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.95 -37.43 20.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.498 -0.752 . . . . 0.0 109.747 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 5.9 pt-20 -64.12 -36.4 83.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 110.357 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 66' ' ' VAL . 57.8 mm-40 -71.62 -29.03 64.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.054 -1.029 . . . . 0.0 108.241 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 63' ' ' LEU . 20.1 mt -65.68 -34.88 79.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.759 ' O ' HD23 ' A' ' 77' ' ' LEU . 35.4 tttp -68.15 -49.13 62.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.239 -0.913 . . . . 0.0 109.361 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.8 m-85 -98.24 12.78 33.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.235 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 p -37.91 -27.22 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.72 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.59 42.17 1.13 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.712 -1.242 . . . . 0.0 109.403 -179.716 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HG3' ' HA ' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -100.24 -27.11 13.67 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.543 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 m -78.23 -24.89 46.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 19.1 m-85 -90.65 -11.55 39.49 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB3' ' HA3' ' A' ' 74' ' ' GLY . . . -178.77 111.79 0.06 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -39.35 -38.08 0.51 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.421 -0.8 . . . . 0.0 109.663 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -138.01 58.47 1.68 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -88.69 -88.44 1.19 Allowed Glycine 0 N--CA 1.484 1.864 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 81' ' ' GLU . 27.9 tpt85 -91.63 112.16 23.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.525 -0.985 . . . . 0.0 110.18 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.49 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 30.2 t70 -96.46 112.55 24.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 64' ' ' LYS . 2.6 mm? -54.86 142.64 28.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.757 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.657 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -91.72 -20.87 21.1 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.893 . . . . 0.0 110.147 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.657 ' CB ' ' O ' ' A' ' 78' ' ' THR . 17.3 t70 124.97 -61.62 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.17 84.05 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.574 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . 51.1 mt-10 -64.04 -25.24 68.02 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.924 0.868 . . . . 0.0 109.522 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.698 ' N ' HD12 ' A' ' 77' ' ' LEU . 10.2 m -84.6 -23.17 29.7 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -80.49 -12.2 59.57 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.6 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.64 -50.41 6.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CG ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -57.13 -47.09 81.97 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.327 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.04 -40.67 91.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.478 -0.764 . . . . 0.0 110.266 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -78.33 2.81 17.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.103 -0.998 . . . . 0.0 110.194 -179.314 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.24 -17.38 8.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.135 -0.978 . . . . 0.0 108.994 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB1' HG12 ' A' ' 97' ' ' ILE . . . -100.53 -24.41 14.47 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.338 -0.851 . . . . 0.0 109.791 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.6 t70 -93.92 179.01 5.48 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.069 -1.02 . . . . 0.0 109.468 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 176.08 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.659 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 92' ' ' ASP . 35.5 p-10 -63.51 -11.6 25.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.903 . . . . 0.0 109.5 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.14 27.13 45.99 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -95.53 -12.12 26.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.225 -1.162 . . . . 0.0 110.025 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.31 23.82 68.57 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -147.21 133.84 19.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -1.104 . . . . 0.0 109.072 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.703 HG12 ' HB1' ' A' ' 89' ' ' ALA . 4.3 mp -107.65 97.16 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.68 -157.77 1.76 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.7 mm -74.34 -74.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.98 -1.306 . . . . 0.0 110.006 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -39.11 -35.6 0.24 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.918 -1.114 . . . . 0.0 110.358 -178.349 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.03 -44.79 62.83 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.75 ' O ' HG23 ' A' ' 106' ' ' VAL . 60.1 t80 -71.23 -54.61 10.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.644 -0.66 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 100' ' ' ASP . 10.9 pt-20 -59.31 -23.02 62.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.776 -1.202 . . . . 0.0 109.679 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.521 ' O ' ' CG ' ' A' ' 108' ' ' GLU . 1.3 m -79.8 -29.07 40.19 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.519 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 1.9 mm? -79.34 -33.91 42.62 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 102' ' ' PHE . 1.4 t -76.51 -44.64 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.703 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 6.5 m80 -60.29 -33.69 72.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.102 -0.999 . . . . 0.0 108.885 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 104' ' ' THR . 6.1 mm-40 -77.36 -35.64 54.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.366 -0.833 . . . . 0.0 109.352 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.418 ' OXT' ' HG3' ' A' ' 36' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.422 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.534 ' O ' HD23 ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -90.28 -29.58 18.05 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.257 -0.902 . . . . 0.0 109.465 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.1 -15.39 62.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.577 ' C ' HD22 ' A' ' 6' ' ' LEU . 2.4 tt -94.41 7.71 44.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.577 HD22 ' C ' ' A' ' 5' ' ' LEU . 4.0 mm? -117.49 -171.19 2.0 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.222 -0.924 . . . . 0.0 109.618 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -104.51 0.76 29.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.681 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 84.4 -60.55 0.1 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 0.0 109.424 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 64.7 m-20 -61.58 -23.93 66.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.48 -0.762 . . . . 0.0 109.545 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 5.1 m-20 -72.53 -27.54 62.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.045 -1.034 . . . . 0.0 108.96 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' ALA . 5.1 mt -79.67 -29.2 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.296 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 15.1 ptpt -86.22 -8.67 57.61 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 109.735 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.511 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -67.12 -49.29 65.39 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.355 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.72 HD22 ' CE1' ' A' ' 29' ' ' PHE . 3.2 mm? -60.78 -34.84 75.09 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.451 -0.781 . . . . 0.0 109.232 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 6.5 m-20 -70.92 -20.97 62.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.139 -0.975 . . . . 0.0 109.899 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.98 -22.19 20.94 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.254 -0.904 . . . . 0.0 109.62 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 24' ' ' PHE . 33.2 m -103.4 -23.32 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 118.782 -1.167 . . . . 0.0 112.058 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HA ' ' HD2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -33.61 -29.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.613 -0.68 . . . . 0.0 111.601 -178.121 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.966 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -48.58 174.7 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.89 -1.131 . . . . 0.0 109.104 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -97.95 70.24 2.12 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.86 18.14 2.68 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.966 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 93.1 p -101.95 14.66 31.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.531 -0.982 . . . . 0.0 111.049 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.57 ' HA ' HG12 ' A' ' 18' ' ' VAL . 34.0 t80 -81.59 134.37 35.49 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.531 -1.356 . . . . 0.0 109.858 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -133.85 99.61 4.5 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.911 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 19.7 p-80 -37.05 -29.43 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 110.669 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.652 ' O ' ' HB1' ' A' ' 109' ' ' ALA . 2.9 mtpm? -76.86 -56.64 4.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.21 -0.931 . . . . 0.0 110.892 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 6.2 mmpt? -66.82 -49.71 64.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.112 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.72 ' CE1' HD22 ' A' ' 15' ' ' LEU . 72.0 t80 -48.7 -63.89 0.96 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 110.228 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.96 -32.67 74.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.465 -0.772 . . . . 0.0 110.794 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -34.98 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.134 -0.979 . . . . 0.0 109.873 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mt -80.42 -52.62 7.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 0.0 110.414 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.605 HG13 ' H ' ' A' ' 35' ' ' LEU . 1.6 p -47.32 -42.69 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.005 -1.059 . . . . 0.0 110.305 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 130.73 -23.51 4.45 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.543 -1.348 . . . . 0.0 110.104 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -42.55 -31.1 0.4 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -1.148 . . . . 0.0 110.17 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.61 -50.84 71.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 110.025 -179.39 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.44 23.55 8.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 110.769 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -176.87 2.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.133 . . . . 0.0 109.177 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 43' ' ' VAL . 86.5 p -97.92 122.13 40.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.43 -29.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.708 -0.62 . . . . 0.0 111.394 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -73.01 -56.79 4.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.738 -1.226 . . . . 0.0 108.031 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.853 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.69 0.74 9.9 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.965 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.908 HG21 ' CE1' ' A' ' 107' ' ' HIS . 58.8 t -92.34 -47.33 14.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' CD ' HG21 ' A' ' 99' ' ' ILE . 8.4 mtmm -65.44 -21.82 66.7 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.32 -1.734 . . . . 0.0 106.32 177.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.5 -31.58 37.18 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 42' ' ' ASP . 33.1 t -66.04 -38.53 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.4 t80 -65.92 -51.69 56.41 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.067 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.492 ' HE3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -44.88 -29.09 0.74 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.404 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -81.4 -41.98 21.1 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.919 HG22 HG23 ' A' ' 58' ' ' ILE . 44.4 mm -50.71 -32.78 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 57' ' ' PHE . 16.3 t70 -79.43 74.81 6.04 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.52 50.61 0.82 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.035 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -151.54 -94.53 0.06 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 173.98 56.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 110.644 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.0 p -147.32 35.14 0.88 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.034 -1.041 . . . . 0.0 109.21 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 31.91 35.56 0.02 OUTLIER Glycine 0 N--CA 1.498 2.789 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 m-85 -148.11 148.97 31.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -1.141 . . . . 0.0 110.754 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.919 HG23 HG22 ' A' ' 50' ' ' ILE . 7.9 mm -89.79 111.53 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.59 153.45 21.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.908 -1.12 . . . . 0.0 109.781 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.4 mt-10 -51.88 -47.08 64.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 0.0 109.805 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.23 -29.07 68.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 110.248 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 21.8 mm-40 -75.16 -35.96 61.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 108.619 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.583 ' O ' HG12 ' A' ' 66' ' ' VAL . 37.1 mt -55.43 -40.75 71.92 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.251 0.548 . . . . 0.0 109.962 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -49.09 59.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.038 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -89.34 21.72 3.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.572 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 63' ' ' LEU . 6.7 p -78.72 22.89 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.088 -1.007 . . . . 0.0 111.194 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 75' ' ' ARG . 68.0 mt -122.27 16.92 10.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.497 -1.377 . . . . 0.0 109.854 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -32.65 18.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 108.737 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.4 m -85.39 -23.07 28.1 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.418 ' O ' HG21 ' A' ' 11' ' ' ILE . 5.9 m-85 -99.24 -19.55 17.04 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 67' ' ' LEU . . . -144.83 119.04 9.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.58 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.862 . . . . 0.0 111.057 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -89.55 -32.52 17.11 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.767 -1.208 . . . . 0.0 109.983 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.18 79.5 0.53 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.543 ' HB3' HD13 ' A' ' 67' ' ' LEU . 2.7 ttp85 -57.82 90.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -1.048 . . . . 0.0 110.009 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -48.07 128.86 14.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.981 -1.074 . . . . 0.0 108.855 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 82' ' ' THR . 5.8 mp -65.35 176.53 1.36 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.2 m -95.38 -6.32 41.27 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.315 -0.866 . . . . 0.0 109.671 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.9 t0 105.02 -61.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.14 73.85 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.593 ' C ' HD23 ' A' ' 77' ' ' LEU . 84.2 mt-10 -63.54 -31.5 72.68 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.975 0.893 . . . . 0.0 109.063 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.627 ' N ' HD23 ' A' ' 77' ' ' LEU . 4.4 m -78.83 -25.46 44.12 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -84.58 -6.98 59.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.4 -47.51 7.69 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -49.34 72.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.92 -41.51 95.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.472 -0.768 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -79.62 6.01 11.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.871 -1.143 . . . . 0.0 110.291 -179.271 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.911 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -116.67 -23.07 8.33 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.967 -1.083 . . . . 0.0 108.804 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 97' ' ' ILE . . . -119.79 14.16 12.48 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.464 -0.773 . . . . 0.0 109.385 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.513 ' HB2' HD11 ' A' ' 97' ' ' ILE . 10.1 t0 -138.74 83.2 1.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.33 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.13 59.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 0.0 109.683 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 94' ' ' ASP . 2.6 p30 -76.54 -12.21 59.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.628 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.05 59.13 10.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.482 ' OD2' ' HB2' ' A' ' 96' ' ' LYS . 15.6 p-10 -112.86 10.28 19.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -1.186 . . . . 0.0 109.898 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.455 ' HA3' ' OE2' ' A' ' 60' ' ' GLU . . . 56.63 27.23 54.58 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.482 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 9.6 mttt -150.33 115.64 5.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.017 -1.284 . . . . 0.0 109.532 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 89' ' ' ALA . 22.7 mm -99.25 105.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.466 -0.771 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.64 -169.73 33.6 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 13.0 mm -69.32 -73.56 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.201 -1.176 . . . . 0.0 110.495 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.8 m-20 -37.83 -38.49 0.3 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.038 -1.039 . . . . 0.0 110.558 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -46.81 70.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.932 -1.105 . . . . 0.0 108.022 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 36.7 t80 -68.05 -55.8 11.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.819 -0.551 . . . . 0.0 111.492 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.552 ' HG3' ' ND1' ' A' ' 107' ' ' HIS . 27.1 tt0 -66.64 -8.5 27.9 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.572 -1.33 . . . . 0.0 110.195 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.557 HG22 HD22 ' A' ' 105' ' ' LEU . 2.6 m -90.69 -49.51 6.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.139 -0.976 . . . . 0.0 108.582 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.557 HD22 HG22 ' A' ' 104' ' ' THR . 3.6 mm? -80.5 -12.58 59.52 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.238 -0.914 . . . . 0.0 109.936 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 102' ' ' PHE . 60.8 t -90.28 -35.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.246 -0.909 . . . . 0.0 109.22 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.908 ' CE1' HG21 ' A' ' 43' ' ' VAL . 12.5 m170 -81.58 -32.7 32.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.336 -0.853 . . . . 0.0 109.404 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.414 ' O ' ' OXT' ' A' ' 109' ' ' ALA . 7.1 mm-40 -94.94 37.74 1.14 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.233 -0.917 . . . . 0.0 109.476 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.471 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -75.71 -34.37 60.36 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.322 -0.861 . . . . 0.0 108.946 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -88.61 -2.93 58.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.437 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -100.11 8.51 43.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' CB ' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -130.13 -167.74 1.86 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.75 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.722 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 tttm -86.46 -12.34 49.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 0.0 109.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 84.15 -62.85 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.437 0.637 . . . . 0.0 109.737 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.92 -32.24 73.49 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.386 -0.821 . . . . 0.0 110.026 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.503 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 40.4 m-20 -63.93 -33.42 75.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.925 -1.11 . . . . 0.0 108.97 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.625 HG21 ' HB3' ' A' ' 70' ' ' PHE . 3.9 mt -74.43 -31.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 1.2 mttp -75.99 -8.7 57.56 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 0.0 109.146 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -45.7 11.2 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.858 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -70.1 -48.5 57.39 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.298 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD13 HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -59.3 -32.05 69.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.064 179.383 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 21.3 m-20 -77.04 -23.56 52.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 110.118 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -17.59 25.44 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.981 -1.075 . . . . 0.0 109.383 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 14' ' ' ALA . 31.4 m -110.53 -20.95 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.871 -1.143 . . . . 0.0 111.32 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -35.74 -28.38 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.388 -0.82 . . . . 0.0 111.178 -178.471 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.941 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -45.56 173.33 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.09 -1.006 . . . . 0.0 109.854 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.66 70.47 3.02 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.325 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.91 15.02 3.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.941 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 88.8 p -98.53 9.6 42.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.491 -1.005 . . . . 0.0 111.24 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 20.5 t80 -92.19 134.99 34.35 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.469 -1.394 . . . . 0.0 110.097 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -116.22 -91.32 0.53 Allowed 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.112 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.758 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 5.9 p80 173.01 -31.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.758 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 3.6 mtmp? -82.69 -51.29 7.86 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.388 -0.82 . . . . 0.0 110.313 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.69 -31.89 71.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.944 -179.002 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 80.9 t80 -68.59 -68.15 0.42 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.097 -1.002 . . . . 0.0 109.478 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.43 ' HE2' ' CE2' ' A' ' 85' ' ' PHE . 29.1 m-85 -53.26 -29.93 35.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 110.248 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.94 64.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.766 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.3 mt -74.44 -1.9 23.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.964 . . . . 0.0 110.353 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 29' ' ' PHE . 89.7 t -84.13 -61.37 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.868 -1.145 . . . . 0.0 109.887 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.75 -35.03 1.12 Allowed Glycine 0 N--CA 1.49 2.234 0 C-N-CA 119.56 -1.305 . . . . 0.0 109.949 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.799 ' H ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -61.6 -9.79 6.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.041 -1.27 . . . . 0.0 110.637 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.5 -22.15 7.58 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.904 -1.123 . . . . 0.0 109.197 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.57 58.84 0.27 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 0.0 109.641 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.424 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -88.1 -64.71 1.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 109.299 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.85 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.2 p 170.37 122.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 109.547 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.13 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.715 -0.616 . . . . 0.0 111.146 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' SER . 12.3 t-20 -75.6 -52.03 11.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.947 -1.096 . . . . 0.0 109.549 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.825 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 m-20 -74.22 -0.79 17.98 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.186 -0.946 . . . . 0.0 109.087 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 39' ' ' SER . 48.8 t -92.06 -45.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -63.99 -21.77 66.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 177.771 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.54 -29.87 37.15 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 42' ' ' ASP . 62.4 t -70.44 -47.5 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.719 ' CG ' HD13 ' A' ' 99' ' ' ILE . 2.2 t80 -60.55 -50.86 71.87 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -47.58 -28.58 2.36 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.282 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -80.4 -38.7 29.78 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.71 HD12 HG23 ' A' ' 66' ' ' VAL . 25.4 mm -58.87 -32.12 46.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.542 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 27.4 t0 -51.49 85.99 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.874 0.845 . . . . 0.0 109.111 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -66.98 -54.46 21.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.909 -0.495 . . . . 0.0 111.671 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' OD2' ' OE1' ' A' ' 59' ' ' GLU . 2.2 p30 -89.0 26.89 1.45 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.67 -1.269 . . . . 0.0 110.64 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.542 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 48.01 35.91 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.273 -0.892 . . . . 0.0 111.425 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -107.94 30.13 6.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.572 -1.33 . . . . 0.0 108.804 179.141 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 41.53 37.73 1.92 Allowed Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.7 m-85 -150.47 145.76 26.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -1.084 . . . . 0.0 110.023 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.671 HG23 HG22 ' A' ' 50' ' ' ILE . 1.8 mm -101.06 96.25 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' OE1' ' OD2' ' A' ' 53' ' ' ASP . 3.3 mt-10 -89.54 171.74 9.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.167 -0.958 . . . . 0.0 110.531 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.813 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -54.45 -41.2 69.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.669 -0.645 . . . . 0.0 110.336 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -62.82 -27.94 69.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.069 -1.019 . . . . 0.0 109.967 -179.409 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.505 ' OE1' ' HA ' ' A' ' 58' ' ' ILE . 15.6 mt-10 -76.2 -46.79 26.7 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.966 ' O ' HG12 ' A' ' 66' ' ' VAL . 88.8 mt -44.66 -43.14 8.09 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HB2' ' OG1' ' A' ' 82' ' ' THR . 16.0 tttt -69.99 -38.82 76.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 108.856 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -94.9 20.25 9.12 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.311 -0.868 . . . . 0.0 109.619 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 63' ' ' LEU . 10.0 p -86.26 44.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 0.0 108.558 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -132.78 -56.44 0.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.648 -0.657 . . . . 0.0 109.874 -179.434 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -34.64 -32.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.504 -0.747 . . . . 0.0 110.967 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -43.23 -51.17 6.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.151 -0.968 . . . . 0.0 109.591 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.625 ' HB3' HG21 ' A' ' 11' ' ' ILE . 5.8 m-85 -88.04 -31.04 19.5 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' A' ' 68' ' ' LYS . . . -145.57 103.86 3.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.73 -1.231 . . . . 0.0 110.648 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.613 ' O ' ' HG3' ' A' ' 68' ' ' LYS . . . -39.59 -35.14 0.28 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.395 -0.816 . . . . 0.0 110.418 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -139.15 58.3 1.64 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.56 -90.88 1.4 Allowed Glycine 0 N--CA 1.479 1.562 0 C-N-CA 120.091 -1.052 . . . . 0.0 110.643 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -92.32 -68.58 0.79 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.478 -1.013 . . . . 0.0 111.302 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 33.3 t0 80.04 95.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 63' ' ' LEU . 24.6 mt -66.82 157.3 33.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 110.729 -178.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.528 HG23 ' OE1' ' A' ' 81' ' ' GLU . 1.3 p -104.77 173.2 6.41 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.5 -46.39 38.25 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 121.513 -0.742 . . . . 0.0 110.507 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.56 85.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.932 -1.105 . . . . 0.0 109.381 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.528 ' OE1' HG23 ' A' ' 78' ' ' THR . 8.9 mt-10 -57.19 -30.34 64.45 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.101 0.953 . . . . 0.0 109.948 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.459 ' OG1' ' HB2' ' A' ' 64' ' ' LYS . 10.1 m -86.63 -22.33 26.24 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.334 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -77.65 -14.1 59.72 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.52 6.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.194 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.813 HD13 ' CG ' ' A' ' 60' ' ' GLU . 21.2 tp -64.29 -46.06 85.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.655 -0.653 . . . . 0.0 111.196 -178.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.483 ' CD ' ' O ' ' A' ' 83' ' ' LYS . 20.7 ptmt -78.8 -12.32 60.02 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.82 -1.175 . . . . 0.0 111.015 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.85 -6.39 15.25 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.847 -1.158 . . . . 0.0 108.85 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -101.11 -31.07 11.23 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.344 -0.848 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 92' ' ' ASP . 3.3 t0 -98.9 118.53 35.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.118 -0.989 . . . . 0.0 109.137 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -79.12 -44.52 21.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.129 -0.982 . . . . 0.0 109.656 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 90' ' ' ASP . 43.6 p-10 -92.02 3.71 54.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.302 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.31 56.02 11.59 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.491 ' OD2' ' HG2' ' A' ' 96' ' ' LYS . 7.9 p-10 -89.09 -28.84 19.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.343 -1.092 . . . . 0.0 109.193 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.26 -5.45 13.33 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.86 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.491 ' HG2' ' OD2' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -149.99 137.24 19.68 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.698 -1.472 . . . . 0.0 110.774 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.561 ' O ' HG12 ' A' ' 58' ' ' ILE . 36.2 mm -102.73 100.19 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.17 -168.07 5.53 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.719 HD13 ' CG ' ' A' ' 47' ' ' PHE . 6.9 mm -71.38 -69.29 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.241 -1.152 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 99' ' ' ILE . 12.8 t0 -39.15 -35.72 0.26 Allowed 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.899 -1.126 . . . . 0.0 110.713 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.403 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -75.82 -41.55 52.35 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.802 -1.186 . . . . 0.0 108.057 178.748 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 106' ' ' VAL . 38.0 t80 -70.35 -54.1 13.9 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.564 -0.71 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -59.91 -27.98 67.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.334 -1.479 . . . . 0.0 109.25 -179.792 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 2.3 m -79.57 -24.65 41.93 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' VAL . 2.3 tt -82.66 -66.59 0.87 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.637 HG12 HD23 ' A' ' 35' ' ' LEU . 2.7 t -40.78 -41.6 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.632 -0.667 . . . . 0.0 109.415 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.23 -71.06 0.21 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.28 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.72 -70.7 0.11 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 109.321 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.691 ' HB1' ' CG ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.424 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.487 ' O ' ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.558 ' CG ' ' HG2' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -75.25 -16.7 60.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.533 -0.729 . . . . 0.0 110.267 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -80.79 -25.51 37.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.053 -1.029 . . . . 0.0 111.081 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.615 ' HB3' HD23 ' A' ' 6' ' ' LEU . 14.9 tp -89.04 -45.06 9.93 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.888 -1.132 . . . . 0.0 109.105 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.676 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 1.5 pt? -153.08 -164.22 1.88 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.396 -0.815 . . . . 0.0 109.274 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.676 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 1.9 mptt 133.21 58.23 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 123.287 0.635 . . . . 0.0 109.657 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.417 ' H ' HD13 ' A' ' 11' ' ' ILE . . . -147.87 -110.24 0.08 Allowed 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.08 -1.013 . . . . 0.0 110.424 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.43 -22.92 66.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.848 -1.158 . . . . 0.0 110.19 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.466 ' C ' HD12 ' A' ' 11' ' ' ILE . 12.5 m-20 -75.39 -27.72 59.2 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.977 -1.077 . . . . 0.0 109.191 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.805 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.5 mp -91.15 -15.17 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.435 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 2.1 mmtp -81.64 -29.29 33.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -87.51 -42.15 12.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.232 -0.917 . . . . 0.0 108.617 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.76 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -64.73 -54.19 35.35 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.295 -0.878 . . . . 0.0 110.236 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 67' ' ' LEU . 12.5 mt -60.86 -40.73 94.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.63 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 16.9 m-20 -65.03 -21.18 66.8 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 108.876 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.26 -19.11 30.42 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.584 ' CG1' ' HA ' ' A' ' 24' ' ' PHE . 27.7 m -139.55 37.06 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.341 -0.849 . . . . 0.0 111.281 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -82.37 -11.83 58.33 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.341 -1.475 . . . . 0.0 111.673 -178.438 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.683 ' HB3' ' CB ' ' A' ' 23' ' ' SER . . . -70.13 176.39 3.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.703 -1.248 . . . . 0.0 110.172 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -95.81 71.69 3.01 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.186 0.993 . . . . 0.0 109.017 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.544 ' HA2' ' CG ' ' A' ' 81' ' ' GLU . . . 130.8 17.05 1.55 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 108.982 -1.647 . . . . 0.0 108.982 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.683 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 88.9 p -108.9 27.31 9.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.516 -0.991 . . . . 0.0 110.193 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.584 ' HA ' ' CG1' ' A' ' 18' ' ' VAL . 28.1 t80 -89.31 143.77 26.58 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 120.666 -1.271 . . . . 0.0 110.928 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.541 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 59.1 m-80 -135.89 121.5 19.55 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 16.1 p-80 -64.26 -29.53 70.62 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.706 -1.246 . . . . 0.0 110.083 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.848 ' HA ' ' HB1' ' A' ' 109' ' ' ALA . 7.9 mtpt -80.65 -56.71 3.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 111.315 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -67.48 -41.88 83.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.879 -1.138 . . . . 0.0 109.799 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.76 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 75.5 t80 -55.64 -62.59 1.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.432 -0.793 . . . . 0.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -64.34 -37.04 86.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 0.0 110.39 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.98 -42.69 63.15 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.104 -0.997 . . . . 0.0 108.684 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' VAL . 12.7 mt -72.23 -51.06 22.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.48 -0.763 . . . . 0.0 109.482 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 29' ' ' PHE . 60.9 t -40.39 -57.93 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.443 -0.785 . . . . 0.0 109.838 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.83 -20.03 5.47 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.746 HD22 HG11 ' A' ' 46' ' ' VAL . 30.7 tp -60.31 -11.6 6.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.128 -1.219 . . . . 0.0 110.514 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.46 ' CE ' ' O ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -75.16 1.14 14.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.903 -1.123 . . . . 0.0 109.984 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HB2' ' HE2' ' A' ' 36' ' ' LYS . . . -168.07 45.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.67 -57.47 2.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.279 -0.888 . . . . 0.0 109.596 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.792 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER 165.96 116.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.664 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' CB ' ' OE2' ' A' ' 103' ' ' GLU . . . -35.45 -29.78 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.711 -0.618 . . . . 0.0 111.164 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.6 t30 -74.66 -53.34 9.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.797 -1.189 . . . . 0.0 109.129 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' VAL . 14.5 m-20 -72.59 -1.37 15.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.285 -0.884 . . . . 0.0 109.196 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 39' ' ' SER . 42.2 t -92.56 -45.44 14.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -22.83 66.35 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -30.86 48.2 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.746 HG11 HD22 ' A' ' 35' ' ' LEU . 6.5 t -69.38 -46.38 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.491 -1.283 . . . . 0.0 108.041 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 58' ' ' ILE . 2.1 t80 -59.4 -52.37 65.9 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.385 0.612 . . . . 0.0 109.48 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -47.95 -26.18 1.64 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -87.84 -34.78 18.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.583 -0.698 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 58' ' ' ILE . 22.1 mm -54.17 -36.86 33.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 5.3 t0 -73.81 76.76 1.6 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.845 ' HB3' ' OE1' ' A' ' 62' ' ' GLU . . . -79.43 49.76 1.03 Allowed 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.075 0.464 . . . . 0.0 111.166 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -151.39 -92.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.689 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 175.09 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.201 -0.937 . . . . 0.0 110.675 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.5 p -143.28 32.86 1.33 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.793 -1.192 . . . . 0.0 109.525 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 35.33 31.34 0.02 OUTLIER Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.625 ' C ' HD12 ' A' ' 58' ' ' ILE . 29.5 m-85 -148.25 156.76 42.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -1.172 . . . . 0.0 110.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.886 HD13 ' CE2' ' A' ' 47' ' ' PHE . 1.5 mp -105.31 101.72 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.25 167.09 13.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.965 -1.084 . . . . 0.0 110.502 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.791 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.3 mp0 -46.92 -37.5 9.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.584 -0.698 . . . . 0.0 109.618 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -42.6 99.0 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.307 -0.871 . . . . 0.0 110.066 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.845 ' OE1' ' HB3' ' A' ' 52' ' ' ALA . 61.0 mm-40 -71.91 -22.08 61.54 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 60' ' ' GLU . 77.8 mt -74.06 -17.88 60.9 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 1.4 tttp -89.37 -30.46 18.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.0 108.979 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' LEU . 3.3 m-85 -94.78 -9.01 35.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.801 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.993 HG13 ' CD2' ' A' ' 67' ' ' LEU . 2.9 p -39.11 -25.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.219 -0.925 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.993 ' CD2' HG13 ' A' ' 66' ' ' VAL . 2.0 mm? -86.66 -43.44 12.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.605 -1.31 . . . . 0.0 108.067 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HG2' ' HA ' ' A' ' 72' ' ' ALA . 6.3 ttpt -53.57 -28.1 30.11 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.401 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -73.38 -30.15 63.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.868 -1.145 . . . . 0.0 109.942 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 5.7 m-30 -93.47 -17.83 23.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.181 -0.949 . . . . 0.0 110.982 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.687 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -132.12 -34.09 1.28 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.725 -1.235 . . . . 0.0 110.359 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 71' ' ' ALA . . . 98.59 -44.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.62 36.13 0.57 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.24 -78.61 0.96 Allowed Glycine 0 N--CA 1.486 1.97 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.325 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.538 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 9.3 mmm-85 -90.59 -70.16 0.69 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -1.213 . . . . 0.0 111.566 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 5.3 t70 80.47 96.16 0.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 82' ' ' THR . 3.6 mm? -37.58 153.97 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.538 0.685 . . . . 0.0 110.846 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.619 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -98.87 -23.5 15.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.522 -0.736 . . . . 0.0 110.222 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.619 ' CB ' ' O ' ' A' ' 78' ' ' THR . 87.0 m-20 124.76 -61.22 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 104.705 -2.332 . . . . 0.0 104.705 -177.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.36 90.82 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.544 ' CG ' ' HA2' ' A' ' 22' ' ' GLY . 26.3 mt-10 -61.85 -35.63 78.84 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.956 0.884 . . . . 0.0 108.839 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.821 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.8 m -75.02 -22.29 58.56 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -81.25 -9.33 59.79 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.593 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.7 -47.46 8.23 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.541 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.43 81.79 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.56 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.526 -0.734 . . . . 0.0 110.485 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.45 ' O ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -84.55 9.57 13.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.056 -1.028 . . . . 0.0 110.355 -179.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.468 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -117.35 -20.44 9.13 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HA ' ' HG ' ' A' ' 105' ' ' LEU . . . -114.16 -31.3 6.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.511 -0.743 . . . . 0.0 110.937 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -86.18 99.17 11.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.733 -1.229 . . . . 0.0 109.4 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.98 -50.53 11.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -74.39 -7.3 52.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.457 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 53.66 56.46 20.14 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.9 -26.63 20.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.146 . . . . 0.0 109.463 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.63 -18.5 17.28 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 133.1 45.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.267 . . . . 0.0 110.079 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.472 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 46.7 mm -92.73 105.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CE2' ' A' ' 47' ' ' PHE . . . -78.71 -175.21 45.75 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.681 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.2 mm -68.11 -70.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.219 -1.165 . . . . 0.0 110.423 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 99' ' ' ILE . 29.6 m-20 -39.14 -37.06 0.36 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.884 -1.135 . . . . 0.0 110.618 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -44.16 64.1 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.741 ' O ' HG23 ' A' ' 106' ' ' VAL . 10.4 t80 -67.77 -59.44 3.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.739 -0.6 . . . . 0.0 110.822 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 40' ' ' ALA . 69.8 tt0 -58.83 -16.99 19.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.581 -1.324 . . . . 0.0 110.376 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -86.2 -38.09 18.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.208 -0.932 . . . . 0.0 109.154 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.503 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 1.6 mm? -78.18 -53.66 7.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 109.793 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 102' ' ' PHE . 2.0 t -55.94 -40.87 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.883 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.662 ' NE2' HG21 ' A' ' 43' ' ' VAL . 12.0 m170 -65.87 -35.57 81.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.032 -1.043 . . . . 0.0 109.914 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 105' ' ' LEU . 11.8 pt-20 -88.24 -4.22 58.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.803 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.848 ' HB1' ' HA ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.667 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.881 ' O ' HD23 ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HG3' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -82.3 -39.39 22.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.372 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.422 ' OD1' ' HG3' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -64.63 -19.19 65.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.238 -0.914 . . . . 0.0 109.064 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -105.38 37.33 2.23 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.368 -0.832 . . . . 0.0 109.253 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.881 HD23 ' O ' ' A' ' 2' ' ' ALA . 1.4 mm? -133.27 -169.28 2.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.487 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.708 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -104.28 -9.37 18.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.504 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 79.89 -75.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.472 -0.768 . . . . 0.0 109.543 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.37 -20.9 63.53 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.259 -0.9 . . . . 0.0 109.56 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 45.2 m-20 -71.51 -29.86 65.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.193 -0.942 . . . . 0.0 109.506 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 6' ' ' LEU . 2.5 mt -84.61 -26.67 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.542 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -82.1 -13.38 57.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.66 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.748 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -90.94 -46.02 8.41 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.296 -0.878 . . . . 0.0 108.826 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.87 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -69.34 -40.19 77.71 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.294 -0.879 . . . . 0.0 109.951 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.048 HD11 HD21 ' A' ' 67' ' ' LEU . 5.9 mp -72.33 -35.53 68.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.254 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -69.52 -20.13 63.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.083 -1.011 . . . . 0.0 109.586 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.21 -17.01 26.74 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.45 -0.782 . . . . 0.0 109.422 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 14' ' ' ALA . 29.8 m -116.72 -10.63 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.235 -1.386 . . . . 0.0 112.925 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -36.04 -32.5 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.929 -1.107 . . . . 0.0 111.143 -178.59 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -49.05 175.75 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 109.665 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB3' HG21 ' A' ' 78' ' ' THR . 2.7 mp0 -102.9 68.78 1.02 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.173 0.987 . . . . 0.0 109.024 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.491 ' HA2' ' HG3' ' A' ' 81' ' ' GLU . . . 132.84 13.82 1.55 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.835 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 8.6 p -89.78 5.48 45.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.393 -1.063 . . . . 0.0 110.736 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CD1' HG11 ' A' ' 18' ' ' VAL . 12.1 t80 -77.06 157.7 30.95 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.655 -1.278 . . . . 0.0 110.292 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -144.13 -33.68 0.4 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.589 -0.694 . . . . 0.0 109.611 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.768 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 1.2 p-80 100.68 -39.82 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.659 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 3.2 mttm -87.56 -41.66 13.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.325 -0.86 . . . . 0.0 108.854 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.807 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.38 -32.63 66.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.539 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.87 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 88.0 t80 -71.25 -65.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.199 -0.938 . . . . 0.0 109.832 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 33' ' ' VAL . 12.7 m-85 -60.37 -31.41 70.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.317 -0.865 . . . . 0.0 110.372 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -58.54 -42.94 89.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.069 -1.019 . . . . 0.0 110.126 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 28' ' ' LYS . 2.3 mt -74.66 -60.83 2.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.02 -1.05 . . . . 0.0 110.123 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 34' ' ' GLY . 5.0 p -41.78 -45.88 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.546 ' N ' HG13 ' A' ' 33' ' ' VAL . . . 107.32 39.77 1.89 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.902 HD12 ' HG2' ' A' ' 38' ' ' MET . 15.8 tp -95.95 14.29 24.07 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.051 -1.264 . . . . 0.0 108.699 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 107' ' ' HIS . 1.0 OUTLIER -90.75 4.23 52.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 110.806 -179.23 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -177.01 39.5 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.626 -1.296 . . . . 0.0 110.7 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.902 ' HG2' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -93.39 71.91 4.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.893 -1.129 . . . . 0.0 109.501 179.478 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER 51.79 90.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.424 -0.797 . . . . 0.0 110.237 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.506 ' HB1' ' OE2' ' A' ' 103' ' ' GLU . . . -38.23 -40.37 0.51 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.452 -0.78 . . . . 0.0 110.695 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -62.8 -50.76 69.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 109.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' HB2' ' OG ' ' A' ' 39' ' ' SER . 13.4 m-20 -67.38 -7.7 27.05 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 108.9 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.631 HG22 ' HG3' ' A' ' 38' ' ' MET . 96.1 t -86.39 -40.54 14.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.682 ' CG ' HG21 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -58.65 -28.58 65.83 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 178.551 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -74.41 -34.04 63.16 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 50' ' ' ILE . 50.1 t -65.91 -45.04 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.689 ' CG ' HD13 ' A' ' 99' ' ' ILE . 2.6 t80 -60.93 -51.54 68.86 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -40.95 -32.24 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.386 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -81.03 -42.15 21.54 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.934 HG22 HG23 ' A' ' 58' ' ' ILE . 35.1 mm -54.73 -27.0 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.121 -0.987 . . . . 0.0 109.444 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.518 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 13.6 t70 -84.54 49.91 1.79 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.85 0.833 . . . . 0.0 108.888 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . -29.37 -47.4 0.06 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.1 p30 -86.8 38.04 0.78 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.387 -1.446 . . . . 0.0 111.18 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.518 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 27.77 43.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.966 -0.458 . . . . 0.0 111.857 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 27.6 p -98.61 17.34 19.38 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.777 -1.202 . . . . 0.0 108.114 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 57.54 16.28 21.37 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 48.9 m-85 -149.0 149.18 30.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -1.128 . . . . 0.0 111.223 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.934 HG23 HG22 ' A' ' 50' ' ' ILE . 7.3 mm -88.49 108.39 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.76 160.66 17.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.921 -1.112 . . . . 0.0 110.257 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.67 ' CG ' HD22 ' A' ' 86' ' ' LEU . 1.1 mm-40 -50.41 -38.21 41.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.58 -34.05 76.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -71.96 -28.7 63.61 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.5 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 31.6 mt -68.38 -37.85 80.81 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -44.83 95.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.826 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 67' ' ' LEU . 5.6 m-85 -99.58 6.27 45.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 109.465 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.703 HG23 HG23 ' A' ' 50' ' ' ILE . 4.3 p -36.68 -27.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.507 -0.746 . . . . 0.0 111.284 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.048 HD21 HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -98.91 42.13 1.11 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.668 -1.27 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -101.12 -21.99 14.82 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 55.3 m -81.6 -19.89 40.93 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -92.97 -20.54 20.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.525 -0.734 . . . . 0.0 109.117 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.715 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -145.59 -28.76 0.44 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.282 -0.886 . . . . 0.0 110.745 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 71' ' ' ALA . . . 93.55 -38.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.36 33.34 0.57 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.26 -76.95 0.93 Allowed Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.703 ' HB2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -85.5 112.29 20.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -1.184 . . . . 0.0 110.715 -178.623 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' LEU . 2.9 m-20 -111.05 92.32 4.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 82' ' ' THR . 6.7 mt -39.06 141.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.75 0.786 . . . . 0.0 110.75 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.639 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.13 -19.46 34.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.794 -0.566 . . . . 0.0 110.327 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' A' ' 78' ' ' THR . 12.9 t0 127.26 -61.58 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.57 72.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG3' ' HA2' ' A' ' 22' ' ' GLY . 23.6 mt-10 -67.39 -29.66 69.24 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.998 0.904 . . . . 0.0 109.009 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.527 ' HA ' HD13 ' A' ' 77' ' ' LEU . 5.2 m -76.36 -25.59 54.82 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -82.42 -13.04 57.45 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -50.44 6.01 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.436 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -58.93 -45.66 89.83 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.454 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD22 ' CG ' ' A' ' 60' ' ' GLU . 49.6 tp -67.33 -37.12 82.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.537 -0.727 . . . . 0.0 110.31 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -81.87 -9.68 59.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.938 -1.101 . . . . 0.0 110.41 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.955 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -113.4 -8.23 13.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.135 -0.978 . . . . 0.0 108.625 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.78 -34.97 7.92 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.548 -0.72 . . . . 0.0 109.304 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 5.7 t0 -93.74 -168.6 1.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.249 -0.907 . . . . 0.0 109.145 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 17.6 tttt 172.51 -52.21 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 94' ' ' ASP . 25.2 p-10 -52.63 -21.5 4.02 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.177 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.28 23.81 42.72 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.426 -1.069 . . . . 0.0 110.426 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.436 ' CG ' ' OD2' ' A' ' 92' ' ' ASP . 17.5 p-10 -93.87 -26.78 16.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.986 -1.302 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.47 -12.9 59.93 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 5.0 mttp -120.48 125.71 48.57 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -1.153 . . . . 0.0 109.377 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.612 ' O ' HG12 ' A' ' 58' ' ' ILE . 2.7 mp -91.96 102.1 13.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.387 -0.821 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.43 -166.36 4.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.689 HD13 ' CG ' ' A' ' 47' ' ' PHE . 12.4 mm -70.0 -72.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.22 -1.164 . . . . 0.0 110.064 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -38.74 -39.28 0.49 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.209 -0.932 . . . . 0.0 110.187 -178.429 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -67.22 -46.06 74.96 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.689 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 106' ' ' VAL . 47.5 t80 -66.8 -57.4 7.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.722 -0.611 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 107' ' ' HIS . 43.1 tt0 -66.81 -5.98 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.761 -1.212 . . . . 0.0 110.388 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.8 m -90.65 -55.38 3.6 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.955 HD23 ' O ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -75.14 -11.35 60.06 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.351 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.569 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 51.3 t -90.02 -33.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 103' ' ' GLU . 5.7 m-70 -89.03 -15.69 33.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.245 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -107.82 27.86 8.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.505 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.445 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.71 ' O ' ' HB2' ' A' ' 1' ' ' ALA . . . . . . . . 0 C--O 1.216 -0.703 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 0' ' ' ACE . . . 164.13 -35.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.159 -0.963 . . . . 0.0 109.947 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 69' ' ' SER . . . -99.74 6.58 45.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.103 -0.998 . . . . 0.0 109.074 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 1.2 pttt -67.9 -39.44 83.6 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.243 -0.911 . . . . 0.0 108.76 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.437 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 4.7 m-20 -86.41 -12.9 47.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.843 . . . . 0.0 109.148 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.82 7.72 35.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.43 -0.794 . . . . 0.0 109.422 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 11' ' ' ILE . 8.6 mt -115.95 -167.8 1.32 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 109.481 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.726 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -99.85 -6.25 27.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.642 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 79.28 -75.75 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.851 . . . . 0.0 110.099 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.61 -25.72 62.95 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -67.41 -31.9 72.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.041 -1.037 . . . . 0.0 109.265 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.635 HG22 HD13 ' A' ' 15' ' ' LEU . 3.4 mt -79.16 -21.32 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.436 -0.79 . . . . 0.0 109.258 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 4.1 mtpt -79.45 -20.71 46.77 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.258 -0.902 . . . . 0.0 109.968 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -87.08 -40.71 14.43 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.042 -1.036 . . . . 0.0 109.258 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HB1' ' CD2' ' A' ' 29' ' ' PHE . . . -67.86 -53.25 28.22 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 121.023 -1.048 . . . . 0.0 110.044 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.635 HD13 HG22 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -62.23 -34.3 76.23 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.541 -0.724 . . . . 0.0 110.021 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 18.2 m-20 -70.42 -19.96 62.95 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.92 -1.112 . . . . 0.0 109.73 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.22 -21.95 20.86 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.334 -0.854 . . . . 0.0 109.628 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 20' ' ' ALA . 16.7 m -109.06 -15.89 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.503 -1.279 . . . . 0.0 112.29 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.2 mttt -32.8 -31.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.336 -0.853 . . . . 0.0 111.699 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB3' ' CB ' ' A' ' 23' ' ' SER . . . -47.06 173.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.985 -1.072 . . . . 0.0 109.403 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -99.73 69.26 1.58 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.432 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' HA2' ' CG ' ' A' ' 81' ' ' GLU . . . 131.59 12.45 1.99 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.791 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 86.8 p -93.55 5.4 51.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.525 -0.986 . . . . 0.0 110.918 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 18.7 t80 -91.56 139.62 30.53 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.632 -1.293 . . . . 0.0 110.338 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.694 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 3.3 m120 -117.7 -64.71 1.26 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.694 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 43.6 p-80 140.92 -28.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HG3' ' NE2' ' A' ' 26' ' ' HIS . 31.9 mtmt -85.28 -53.43 5.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.378 -0.826 . . . . 0.0 110.468 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -67.75 -27.66 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.024 -1.048 . . . . 0.0 109.861 -179.171 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.76 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 28.2 t80 -73.18 -63.71 1.13 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.175 -0.953 . . . . 0.0 110.004 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 44.0 m-85 -58.34 -39.34 79.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.05 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB2' ' OXT' ' A' ' 109' ' ' ALA . . . -61.76 -28.02 69.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.076 -1.015 . . . . 0.0 109.193 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 13' ' ' LYS . 2.4 mt -80.93 -63.72 1.34 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 109.562 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -43.34 -45.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 109.488 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 31.88 3.98 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.158 -1.02 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.822 HD23 HG13 ' A' ' 106' ' ' VAL . 14.5 tp -71.03 -31.0 67.36 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.814 -1.404 . . . . 0.0 109.381 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -67.86 -28.86 67.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.143 -0.973 . . . . 0.0 109.525 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 36' ' ' LYS . . . -59.42 -33.25 71.02 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.106 -0.996 . . . . 0.0 109.483 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.41 ' HG3' ' HB3' ' A' ' 42' ' ' ASP . 1.1 tpp -54.77 167.6 0.36 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.162 -0.961 . . . . 0.0 109.485 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.8 p -97.08 145.11 26.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.548 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.04 -40.92 0.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.647 -0.658 . . . . 0.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -67.98 -52.87 30.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.2 m-20 -67.67 -6.02 18.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.055 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 39' ' ' SER . 64.7 t -88.46 -41.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.025 ' HG3' HG21 ' A' ' 99' ' ' ILE . 4.5 ttmt -61.24 -24.03 66.07 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -80.93 -30.83 35.24 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 42' ' ' ASP . 55.9 t -70.76 -38.01 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.209 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.742 ' CD2' HD11 ' A' ' 58' ' ' ILE . 1.5 t80 -68.41 -49.99 56.09 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -44.9 -31.03 1.11 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HB1' ' OG ' ' A' ' 69' ' ' SER . . . -79.05 -40.95 29.99 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.756 HG22 HG23 ' A' ' 58' ' ' ILE . 31.2 mm -55.41 -33.83 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 121.074 -1.017 . . . . 0.0 108.459 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.508 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 25.4 t0 -60.72 83.98 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.868 0.842 . . . . 0.0 109.48 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -61.33 -49.05 78.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.911 -0.493 . . . . 0.0 111.746 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.6 p30 -88.69 29.94 0.96 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.654 -1.279 . . . . 0.0 111.216 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.508 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 40.15 41.54 0.98 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.155 -0.965 . . . . 0.0 110.812 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.483 ' O ' ' OG ' ' A' ' 55' ' ' SER . 3.9 t -112.81 34.58 4.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.892 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 39.0 36.08 0.46 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 15.6 m-85 -150.17 153.86 37.03 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.301 -1.117 . . . . 0.0 110.825 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.756 HG23 HG22 ' A' ' 50' ' ' ILE . 1.8 mm -109.11 98.37 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -88.05 172.51 9.48 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.004 -1.06 . . . . 0.0 110.434 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HG3' HD13 ' A' ' 86' ' ' LEU . 28.9 mp0 -51.05 -40.05 57.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.601 -0.687 . . . . 0.0 109.905 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 64' ' ' LYS . 3.1 tp10 -61.82 -34.54 76.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.977 -1.077 . . . . 0.0 109.54 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -63.31 -46.01 88.68 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.618 HD22 ' CG ' ' A' ' 85' ' ' PHE . 43.5 mt -50.71 -40.82 55.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.542 ' O ' HD23 ' A' ' 77' ' ' LEU . 25.3 tptt -55.75 -43.69 76.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -0.831 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 74.5 m-85 -112.12 25.81 11.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 0.0 109.394 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.535 HG13 ' CD2' ' A' ' 67' ' ' LEU . 4.1 p -45.33 -41.4 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.465 -0.772 . . . . 0.0 111.458 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.017 HD12 ' HB2' ' A' ' 75' ' ' ARG . 1.5 mt -90.44 38.11 0.93 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.564 -1.335 . . . . 0.0 109.331 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -84.13 -38.38 20.79 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.477 -0.764 . . . . 0.0 108.992 179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.489 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 4.5 m -58.32 -27.66 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.306 -0.871 . . . . 0.0 108.965 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.56 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.3 m-30 -89.11 -27.63 20.62 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 68' ' ' LYS . . . -157.91 116.41 3.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.577 -0.702 . . . . 0.0 109.197 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.89 -38.19 1.49 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.431 -0.793 . . . . 0.0 109.096 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.454 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 10.2 t70 -142.79 61.85 1.41 Allowed 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -85.06 -86.4 0.94 Allowed Glycine 0 N--CA 1.485 1.903 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 1.017 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.7 mmm180 -91.4 111.73 23.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.991 . . . . 0.0 110.174 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 3.6 m-20 -90.24 105.22 17.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 108.792 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 82' ' ' THR . 4.0 mm? -41.1 150.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 0.0 110.397 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -95.83 -6.54 39.2 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.472 -0.767 . . . . 0.0 109.153 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.2 t0 105.9 -62.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 105.75 -1.945 . . . . 0.0 105.75 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.96 88.99 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.532 ' CG ' ' HA2' ' A' ' 22' ' ' GLY . 49.2 mt-10 -62.72 -25.63 68.27 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.866 0.841 . . . . 0.0 109.524 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.616 ' N ' HD12 ' A' ' 77' ' ' LEU . 9.0 m -84.43 -22.13 30.49 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 1.1 tmtm? -82.21 -13.62 56.82 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.43 -51.7 5.78 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.618 ' CG ' HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -51.82 -47.81 64.16 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.168 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.571 HD13 ' HG3' ' A' ' 60' ' ' GLU . 40.6 tp -60.92 -47.9 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.568 -0.708 . . . . 0.0 110.822 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 25.5 pttt -86.69 6.45 31.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.82 -1.175 . . . . 0.0 110.944 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.51 -19.77 12.0 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.852 -1.155 . . . . 0.0 108.49 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.48 ' HA ' ' HG ' ' A' ' 105' ' ' LEU . . . -110.68 -37.35 5.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.542 -0.724 . . . . 0.0 110.081 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.46 ' HA ' HD11 ' A' ' 97' ' ' ILE . 12.3 t0 -66.08 91.55 0.16 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.081 -1.012 . . . . 0.0 109.669 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -51.48 11.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.92 . . . . 0.0 109.331 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -66.43 -14.07 61.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.263 -0.898 . . . . 0.0 109.472 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.52 42.77 99.83 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -95.37 -30.13 14.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -1.154 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.0 -5.37 23.87 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -138.43 127.19 23.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.121 -1.223 . . . . 0.0 109.603 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' A' ' 101' ' ' GLU . 49.8 mm -93.73 100.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.406 -0.809 . . . . 0.0 109.781 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.56 -160.9 2.0 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 1.025 HG21 ' HG3' ' A' ' 44' ' ' LYS . 11.6 mm -72.18 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.977 -1.308 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 70.3 m-20 -37.24 -37.75 0.19 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.726 ' HB3' HG23 ' A' ' 97' ' ' ILE . 1.5 tm-20 -69.65 -47.15 64.34 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.947 ' O ' HG23 ' A' ' 106' ' ' VAL . 59.9 t80 -66.54 -56.67 9.73 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.725 -0.61 . . . . 0.0 111.049 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.498 ' CG ' HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -60.08 -18.83 49.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.65 -1.281 . . . . 0.0 109.788 -179.311 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -82.2 -29.18 31.58 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -90.31 -15.82 30.45 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 102' ' ' PHE . 16.7 t -84.61 -29.58 6.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.42 -0.8 . . . . 0.0 109.06 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 4.5 m80 -88.0 -32.36 18.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.791 . . . . 0.0 109.577 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.02 14.18 12.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 0.0 109.36 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' ' 30' ' ' PHE . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.424 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -179.19 50.19 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.33 12.9 26.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.247 -0.908 . . . . 0.0 109.472 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' HB3' ' HA ' ' A' ' 70' ' ' PHE . 10.0 ptmt -76.18 -26.58 56.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.138 -0.976 . . . . 0.0 109.12 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.448 ' OD1' ' HE2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -107.84 -10.19 15.6 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.435 -0.791 . . . . 0.0 109.447 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.966 ' CD2' HD23 ' A' ' 6' ' ' LEU . 6.9 tt -89.4 -43.24 11.03 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.853 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.966 HD23 ' CD2' ' A' ' 5' ' ' LEU . 3.4 pp -151.99 144.51 24.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.0 110.951 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.923 ' O ' HD12 ' A' ' 11' ' ' ILE . 8.9 mptt 64.51 32.97 11.33 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 121.39 -0.819 . . . . 0.0 110.356 178.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.64 68.74 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.62 -34.92 23.02 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.297 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 11.9 m-20 -65.46 -36.01 82.6 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 7' ' ' LYS . 2.8 mt -55.38 -46.39 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.61 -34.51 26.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.779 -0.576 . . . . 0.0 110.196 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -85.08 -25.45 27.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.958 -1.089 . . . . 0.0 109.583 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -73.09 -34.26 66.09 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.963 -1.086 . . . . 0.0 110.231 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD23 ' HG2' ' A' ' 75' ' ' ARG . 3.6 mt -74.89 -45.16 44.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.574 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -17.57 54.17 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.43 -0.794 . . . . 0.0 108.919 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.81 -30.18 26.75 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.61 HG21 ' HD2' ' A' ' 24' ' ' PHE . 25.6 m -132.07 29.98 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.204 -0.935 . . . . 0.0 111.678 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' LEU . 6.9 tttm -59.67 -29.54 68.13 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.518 -1.364 . . . . 0.0 111.134 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.765 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -55.84 174.07 0.12 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.897 -1.127 . . . . 0.0 109.895 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 0.9 OUTLIER -98.57 69.17 1.87 Allowed 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 122.113 0.959 . . . . 0.0 109.048 179.735 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.46 9.31 1.04 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.765 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 3.0 p -89.89 10.55 23.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -1.14 . . . . 0.0 109.95 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.61 ' HD2' HG21 ' A' ' 18' ' ' VAL . 33.9 t80 -82.21 143.24 31.52 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.084 -1.01 . . . . 0.0 110.412 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 8.2 m-20 -125.46 -30.68 3.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.524 -0.735 . . . . 0.0 109.139 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER 97.68 -39.16 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.382 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.823 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 12.1 mtpp -90.84 -37.06 13.85 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 109.131 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.677 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -77.21 -35.8 55.37 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.213 -0.929 . . . . 0.0 108.797 179.516 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.703 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 89.9 t80 -66.99 -60.01 3.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.475 -0.766 . . . . 0.0 109.263 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' O ' HG12 ' A' ' 33' ' ' VAL . 48.4 m-85 -66.32 -31.84 72.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.419 -0.801 . . . . 0.0 109.577 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.823 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -48.66 -50.18 34.19 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.061 -1.024 . . . . 0.0 109.225 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -74.22 -45.54 47.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 110.127 -179.631 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.635 HG22 ' CG ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -44.27 -49.74 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.095 -1.003 . . . . 0.0 110.136 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . 104.36 27.26 6.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.572 ' HG ' ' CG1' ' A' ' 106' ' ' VAL . 4.7 tp -101.94 19.05 19.12 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 120.852 -1.381 . . . . 0.0 109.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.575 ' CE ' ' HB2' ' A' ' 37' ' ' ALA . 3.5 ttpt -84.03 -19.05 35.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 111.204 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.575 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -133.16 29.23 4.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.443 -1.41 . . . . 0.0 110.581 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.858 ' HB3' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -65.02 157.65 27.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.883 -1.136 . . . . 0.0 108.989 179.436 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 1.004 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -64.82 117.68 7.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.986 . . . . 0.0 109.533 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.27 -28.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.631 -0.668 . . . . 0.0 111.297 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 t30 -74.06 -58.76 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.789 -1.194 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 46' ' ' VAL . 5.9 m-20 -69.34 -4.97 20.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.24 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 39' ' ' SER . 17.6 t -89.07 -43.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.607 ' HG2' HG21 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -61.22 -24.94 66.72 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -77.96 -31.45 50.86 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.653 HG22 HD21 ' A' ' 6' ' ' LEU . 39.6 t -67.26 -47.41 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.0 t80 -58.49 -52.14 66.9 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -43.6 -31.49 0.76 Allowed 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 179.304 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -75.12 -45.22 42.45 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.032 ' CG2' HD12 ' A' ' 58' ' ' ILE . 41.7 mm -53.71 -32.17 20.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.482 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 12.3 t0 -61.4 83.18 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.523 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.506 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . . . -44.34 -69.98 0.12 Allowed 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.532 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 55' ' ' SER . 1.9 p30 -89.55 22.15 3.12 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.978 -1.076 . . . . 0.0 111.185 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.482 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 48.59 59.96 4.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 110.761 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.7 p -116.1 36.03 4.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.68 22.17 1.74 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 49.6 m-85 -151.82 142.5 22.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -1.216 . . . . 0.0 110.638 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.032 HD12 ' CG2' ' A' ' 50' ' ' ILE . 3.6 mm -89.38 114.81 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.87 167.26 13.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.79 -1.194 . . . . 0.0 110.719 -177.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 63' ' ' LEU . 9.3 mt-10 -53.79 -36.6 62.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.713 -0.617 . . . . 0.0 109.549 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -33.82 75.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 109.745 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HG3' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -66.73 -42.74 85.79 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 60' ' ' GLU . 59.3 mt -54.7 -39.3 68.04 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.935 ' O ' HD23 ' A' ' 77' ' ' LEU . 5.7 mttt -57.32 -41.43 79.93 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 64' ' ' LYS . 26.5 m-85 -115.28 33.69 5.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.388 -0.82 . . . . 0.0 109.381 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.786 HG13 ' HG ' ' A' ' 67' ' ' LEU . 2.7 p -39.46 -32.75 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.865 . . . . 0.0 111.25 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.989 HD12 ' HB2' ' A' ' 75' ' ' ARG . 5.8 mt -103.77 44.06 1.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.577 -1.327 . . . . 0.0 109.775 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 11.3 ttpt -85.12 -40.11 17.14 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -63.69 -21.28 66.31 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.515 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 19.7 m-30 -89.51 -22.63 22.34 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -164.8 117.63 1.26 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.87 -37.55 1.32 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.331 -0.856 . . . . 0.0 109.087 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -143.88 62.22 1.36 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -88.15 -85.08 1.21 Allowed Glycine 0 N--CA 1.486 2.013 0 C-N-CA 119.955 -1.117 . . . . 0.0 110.319 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.989 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.0 mmm180 -90.96 112.77 24.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -1.094 . . . . 0.0 110.723 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.26 116.87 27.81 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 64' ' ' LYS . 3.1 mm? -62.7 151.67 37.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.983 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -97.09 -23.1 16.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.368 -0.833 . . . . 0.0 110.277 -179.298 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 10.2 t70 121.33 -62.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.55 87.72 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.621 ' HB3' HD13 ' A' ' 77' ' ' LEU . 31.4 tt0 -61.03 -36.47 79.63 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.094 0.95 . . . . 0.0 108.576 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.746 ' N ' HD12 ' A' ' 77' ' ' LEU . 21.0 m -77.84 -20.65 52.73 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -77.97 -10.89 59.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.79 -50.25 6.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' HB3' HD22 ' A' ' 63' ' ' LEU . 1.3 t80 -58.93 -47.82 83.68 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.48 -42.76 99.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.571 -0.706 . . . . 0.0 110.112 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -80.18 4.7 16.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.104 -0.997 . . . . 0.0 110.107 -179.255 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.648 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -119.82 -15.9 8.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.106 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.58 15.43 7.6 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.545 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.43 ' OD2' ' HA2' ' A' ' 93' ' ' GLY . 5.9 t70 -132.86 63.64 1.63 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.937 . . . . 0.0 109.238 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.34 -44.22 83.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.299 -0.876 . . . . 0.0 109.713 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' ' OD1' ' A' ' 94' ' ' ASP . 44.0 p-10 -63.34 -14.98 55.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.192 -0.943 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.43 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 62.07 40.06 98.43 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 96' ' ' LYS . 9.4 p-10 -96.68 -7.24 34.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -1.167 . . . . 0.0 109.771 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.446 ' C ' ' HG3' ' A' ' 96' ' ' LYS . . . 74.56 15.52 80.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HG3' ' C ' ' A' ' 95' ' ' GLY . 0.2 OUTLIER -149.33 124.64 10.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -1.169 . . . . 0.0 109.767 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.568 ' O ' HG12 ' A' ' 58' ' ' ILE . 2.8 mp -100.35 101.63 12.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 0.0 109.06 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.96 -165.42 3.97 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 9.5 mm -72.01 -72.24 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.281 -1.129 . . . . 0.0 109.762 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.505 ' C ' ' O ' ' A' ' 99' ' ' ILE . 19.8 p-10 -37.53 -36.87 0.18 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.999 -1.063 . . . . 0.0 110.619 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -73.03 -44.99 60.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.896 -1.127 . . . . 0.0 107.985 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.578 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 47.0 t80 -67.69 -52.94 31.95 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.79 -0.569 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.639 ' CG ' ' CE1' ' A' ' 107' ' ' HIS . 31.0 tt0 -70.05 -9.69 56.2 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.659 -1.276 . . . . 0.0 110.589 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 2.0 m -90.41 -56.28 3.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.628 -1.295 . . . . 0.0 108.197 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -44.19 91.62 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.973 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.572 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 95.4 t -59.43 -41.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.445 -0.784 . . . . 0.0 108.891 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.639 ' CE1' ' CG ' ' A' ' 103' ' ' GLU . 28.7 m170 -74.16 -16.77 60.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.528 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -100.39 39.87 1.31 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.426 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.92 ' H1 ' ' HA ' ' A' ' 69' ' ' SER . . . . . . . . 0 C--O 1.215 -0.711 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -160.78 37.17 0.15 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.257 -0.902 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.53 16.68 20.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.332 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 70' ' ' PHE . 9.8 mtpt -89.98 -10.3 45.51 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.281 -0.887 . . . . 0.0 109.735 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.49 -23.11 65.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 42' ' ' ASP . 15.4 tp -89.34 -41.13 12.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 108.709 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.971 HD12 HD11 ' A' ' 11' ' ' ILE . 1.5 pp -146.03 137.83 25.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' CA ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -168.15 37.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.92 -1.113 . . . . 0.0 110.156 -179.63 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.536 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -147.86 -122.26 0.06 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.992 -1.067 . . . . 0.0 110.205 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -60.64 -14.33 19.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.768 -1.207 . . . . 0.0 109.643 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 22.2 m-20 -75.15 -32.09 61.21 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.304 -0.873 . . . . 0.0 109.363 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.971 HD11 HD12 ' A' ' 6' ' ' LEU . 2.5 mp -91.3 -21.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.687 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 3.3 mmtm -82.23 -22.82 35.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.828 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HB3' HD23 ' A' ' 32' ' ' LEU . 2.6 mtpt -90.67 -48.22 7.19 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.165 -0.959 . . . . 0.0 108.82 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.604 ' CB ' HG13 ' A' ' 33' ' ' VAL . . . -60.49 -46.46 90.02 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.324 -0.86 . . . . 0.0 110.21 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.762 HD21 HD21 ' A' ' 67' ' ' LEU . 3.3 mm? -67.61 -45.39 75.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 0.0 109.442 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 11.6 m-20 -63.72 -18.32 63.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.11 -0.993 . . . . 0.0 108.964 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.29 -25.83 31.2 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.559 ' CG1' ' HA ' ' A' ' 24' ' ' PHE . 9.9 m -133.63 27.14 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.116 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' LEU . 9.0 tptp -65.41 -23.25 66.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.311 -1.493 . . . . 0.0 111.089 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 23' ' ' SER . . . -64.82 172.42 2.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.066 -1.021 . . . . 0.0 110.217 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HB3' ' OG1' ' A' ' 78' ' ' THR . 3.6 mt-10 -98.59 70.63 1.94 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.098 0.951 . . . . 0.0 109.135 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.7 5.62 0.9 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 24.6 p -103.99 24.57 11.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -1.147 . . . . 0.0 109.626 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.594 ' CE1' ' N ' ' A' ' 26' ' ' HIS . 42.2 t80 -90.43 142.49 27.68 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.011 -1.056 . . . . 0.0 110.395 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 27' ' ' LYS . 6.2 t-20 -140.86 90.49 2.34 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.1 p-80 -31.26 -34.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.826 -0.547 . . . . 0.0 111.535 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.602 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.077 -1.014 . . . . 0.0 110.586 -179.094 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 7.7 mmpt? -69.95 -51.68 30.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.963 -1.086 . . . . 0.0 109.944 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 1.013 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 52.1 t80 -48.59 -65.3 0.59 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 110.097 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' HA ' HG22 ' A' ' 33' ' ' VAL . 41.8 m-85 -62.18 -35.03 77.59 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.474 -0.766 . . . . 0.0 110.285 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -60.76 -22.91 64.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.979 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 13' ' ' LYS . 1.1 tp -88.78 -60.54 1.93 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 14' ' ' ALA . 6.2 m -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.521 ' H ' HG23 ' A' ' 33' ' ' VAL . . . 144.28 -29.71 1.9 Allowed Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.57 -1.3 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.135 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -43.16 -29.85 0.41 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -1.182 . . . . 0.0 111.119 -179.316 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CE ' ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -39.02 -27.51 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.134 -0.979 . . . . 0.0 110.522 -179.035 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -177.04 65.68 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.905 -1.122 . . . . 0.0 109.683 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 tpt -87.65 -68.24 0.77 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.253 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 43' ' ' VAL . 51.5 p -172.79 113.75 0.26 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.192 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -32.98 -33.9 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.808 -0.557 . . . . 0.0 111.568 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' SER . 10.6 t-20 -74.25 -58.31 3.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.79 -1.194 . . . . 0.0 110.092 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.811 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.5 m-20 -71.67 -1.85 15.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.097 -1.002 . . . . 0.0 109.689 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 39' ' ' SER . 49.2 t -92.77 -46.86 14.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.728 ' HG2' HG21 ' A' ' 99' ' ' ILE . 11.2 mtpt -64.73 -22.46 66.99 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -30.66 54.74 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.135 HG21 HD21 ' A' ' 35' ' ' LEU . 41.0 t -64.16 -48.26 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.777 ' CG ' HD13 ' A' ' 99' ' ' ILE . 1.6 t80 -60.32 -51.3 70.13 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -44.05 -27.88 0.42 Allowed 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.605 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -82.28 -42.1 19.27 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.859 HG22 HG23 ' A' ' 58' ' ' ILE . 35.4 mm -55.75 -30.05 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 56' ' ' GLY . 33.2 t0 -71.18 78.45 0.7 Allowed 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.87 0.843 . . . . 0.0 109.311 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -52.94 -50.34 64.24 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.408 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' ALA . 40.4 p30 -88.54 24.25 2.01 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.711 -1.243 . . . . 0.0 110.774 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . 36.56 54.0 1.07 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.478 -0.764 . . . . 0.0 110.908 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.4 p -118.95 39.07 3.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.114 -0.991 . . . . 0.0 108.524 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 51' ' ' ASP . . . 42.43 29.92 0.77 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 55' ' ' SER . 45.9 m-85 -150.98 147.85 27.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.974 -1.309 . . . . 0.0 111.129 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.859 HG23 HG22 ' A' ' 50' ' ' ILE . 3.8 mm -101.26 110.3 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' OE1' ' OE2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -88.8 156.31 19.04 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.879 -1.138 . . . . 0.0 109.927 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 86' ' ' LEU . 45.9 mt-10 -51.46 -35.67 40.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 0.0 109.618 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.71 84.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.25 -0.907 . . . . 0.0 110.004 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' A' ' 52' ' ' ALA . 4.4 mt-10 -66.8 -40.66 88.18 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 85' ' ' PHE . 26.7 mt -53.19 -33.55 53.17 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.46 -54.87 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.807 . . . . 0.0 109.178 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' LEU . 38.7 m-85 -90.04 14.47 12.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.089 -1.007 . . . . 0.0 108.996 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.0 p -37.46 -26.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.65 -0.656 . . . . 0.0 111.639 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.013 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -117.34 46.62 1.67 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.409 -1.432 . . . . 0.0 111.137 -178.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -98.54 -24.59 15.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.022 -1.049 . . . . 0.0 108.243 178.364 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.92 ' HA ' ' H1 ' ' A' ' 0' ' ' ACE . 3.8 m -72.85 -25.86 61.26 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.731 ' CE1' HD11 ' A' ' 6' ' ' LEU . 92.9 m-85 -89.08 -20.62 24.1 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.648 ' HB3' ' HA3' ' A' ' 74' ' ' GLY . . . -170.18 125.98 0.79 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -42.45 -32.35 0.53 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.273 -0.892 . . . . 0.0 109.149 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.35 49.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.648 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -70.64 -72.84 0.84 Allowed Glycine 0 N--CA 1.488 2.105 0 N-CA-C 110.451 -1.059 . . . . 0.0 110.451 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.505 ' HB2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -87.47 -64.88 1.08 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -1.176 . . . . 0.0 110.243 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.474 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 4.9 t70 66.9 108.22 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.974 . . . . 0.0 108.875 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 81' ' ' GLU . 3.0 mm? -60.18 153.36 22.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -98.96 -7.09 27.54 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.439 -0.788 . . . . 0.0 109.732 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 34.0 t0 108.26 -61.79 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.05 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.713 ' HB2' HD13 ' A' ' 77' ' ' LEU . 45.6 mt-10 -65.6 -18.05 65.04 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.601 0.715 . . . . 0.0 110.058 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.712 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.0 m -84.69 -24.53 28.92 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -82.2 -16.62 49.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.18 -51.38 6.33 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -54.65 -46.32 73.97 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.499 0.666 . . . . 0.0 109.209 179.149 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 60' ' ' GLU . 24.1 tp -63.41 -41.19 98.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.627 -0.67 . . . . 0.0 110.559 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -69.37 -9.92 55.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.95 -1.093 . . . . 0.0 110.127 -179.227 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.539 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -114.21 -12.69 12.45 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.068 -1.02 . . . . 0.0 108.825 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' A' ' 97' ' ' ILE . . . -95.07 -21.73 18.36 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.396 -0.815 . . . . 0.0 109.277 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.5 t70 -104.56 -176.74 3.17 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.935 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 15.0 ttmm 173.74 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -68.03 -11.08 58.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.312 -0.868 . . . . 0.0 109.198 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.28 10.28 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -110.0 5.28 22.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -1.21 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.21 22.16 6.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HD2' ' CG ' ' A' ' 57' ' ' PHE . 2.0 ttmm -145.22 141.83 29.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -1.162 . . . . 0.0 109.552 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' A' ' 89' ' ' ALA . 2.5 mp -114.68 99.51 8.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.554 -0.716 . . . . 0.0 109.416 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.76 -164.47 3.4 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.132 -1.987 . . . . 0.0 108.132 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.777 HD13 ' CG ' ' A' ' 47' ' ' PHE . 11.1 mm -70.03 -77.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.015 -1.285 . . . . 0.0 110.467 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.4 t0 -39.94 -38.12 0.66 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.032 -1.042 . . . . 0.0 110.612 -177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.59 -42.62 74.2 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.229 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 1.029 ' O ' HG23 ' A' ' 106' ' ' VAL . 10.1 t80 -74.05 -54.17 8.41 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.608 -0.683 . . . . 0.0 111.523 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.779 ' OE1' HG12 ' A' ' 43' ' ' VAL . 24.0 mm-40 -69.96 -5.49 26.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.015 -1.053 . . . . 0.0 110.339 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.518 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.4 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -72.94 -32.57 65.35 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.235 -0.916 . . . . 0.0 109.259 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 102' ' ' PHE . 3.2 t -65.77 -40.55 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.363 -0.836 . . . . 0.0 109.391 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.771 ' NE2' HG11 ' A' ' 43' ' ' VAL . 40.0 m170 -72.38 -38.5 68.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.304 -0.872 . . . . 0.0 109.441 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 104' ' ' THR . 2.7 mt-10 -67.46 -18.88 65.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.365 -0.834 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.412 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.705 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -122.58 -3.35 8.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.965 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.53 ' CB ' ' CE1' ' A' ' 70' ' ' PHE . . . -101.44 27.43 6.28 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -84.62 -31.71 24.1 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.584 -0.698 . . . . 0.0 109.381 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.6 -16.1 40.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tp -90.23 -40.22 12.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.159 -0.963 . . . . 0.0 110.048 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 2.6 pp -146.44 166.85 25.16 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.151 -0.968 . . . . 0.0 109.594 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' CA ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 162.96 40.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.44 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -146.11 -132.86 0.07 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.284 . . . . 0.0 111.283 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 14.5 m-20 -58.76 -15.04 10.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.967 -1.083 . . . . 0.0 110.044 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.23 -34.48 65.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.65 ' N ' HD12 ' A' ' 11' ' ' ILE . 4.8 mp -90.89 -27.18 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.14 -0.975 . . . . 0.0 109.599 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -81.19 -21.91 39.28 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.405 -0.809 . . . . 0.0 110.103 -179.507 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 2.1 mttm -90.12 -40.07 12.47 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.107 -0.996 . . . . 0.0 109.241 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.735 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -63.51 -50.28 70.2 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.038 -1.039 . . . . 0.0 110.217 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.0 mt -67.98 -43.94 77.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.931 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 8.6 m-20 -63.23 -17.43 62.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.889 -1.132 . . . . 0.0 109.119 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.25 -23.07 24.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 23' ' ' SER . 3.6 m -142.06 40.73 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 119.264 -0.975 . . . . 0.0 110.746 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 2.3 ttpt -90.19 -4.45 57.24 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.604 -1.31 . . . . 0.0 112.163 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.513 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -67.47 -172.41 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.512 -1.367 . . . . 0.0 109.921 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -98.89 67.51 1.67 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.078 0.942 . . . . 0.0 109.876 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 81' ' ' GLU . . . 134.17 8.25 2.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.783 ' O ' HG12 ' A' ' 18' ' ' VAL . 31.5 p -91.44 0.88 57.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -1.066 . . . . 0.0 111.233 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CE2' ' CG ' ' A' ' 29' ' ' PHE . 13.7 t80 -90.93 136.56 32.99 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 120.437 -1.415 . . . . 0.0 111.179 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.584 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 1.8 m-20 -120.86 -87.37 0.64 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 20.7 p-80 170.98 -28.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HG3' ' NE2' ' A' ' 26' ' ' HIS . 13.7 mtpp -84.54 -51.64 6.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.888 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HG2' ' N ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -70.06 -24.47 63.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.101 -0.999 . . . . 0.0 110.189 -178.768 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.735 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 94.6 t80 -76.55 -64.89 1.01 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.159 -0.963 . . . . 0.0 109.706 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.521 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 67.6 m-85 -60.86 -34.07 74.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 110.202 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 36' ' ' LYS . . . -64.88 -35.29 80.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.258 -0.901 . . . . 0.0 109.71 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -52.23 16.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.909 . . . . 0.0 109.919 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 2.0 p -51.96 -40.12 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 109.949 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 132.3 -24.78 3.93 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -36.69 -37.14 0.13 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.734 -0.862 . . . . 0.0 110.591 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -48.04 -56.47 7.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.133 -0.979 . . . . 0.0 109.885 -179.547 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.91 47.84 1.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 3.8 tpp -90.22 26.86 1.78 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.014 . . . . 0.0 109.453 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.963 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.0 p 60.56 116.87 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.297 -0.877 . . . . 0.0 109.717 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.49 -25.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.515 -0.741 . . . . 0.0 111.614 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 39' ' ' SER . 11.6 t-20 -73.79 -58.26 3.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.603 -1.311 . . . . 0.0 109.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.4 m-20 -71.38 -2.59 17.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 109.24 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 39' ' ' SER . 20.8 t -91.19 -44.4 14.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HG2' HG21 ' A' ' 99' ' ' ILE . 51.7 mtpt -65.35 -20.22 66.3 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -83.1 -31.11 27.44 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 42' ' ' ASP . 53.6 t -68.46 -40.29 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.6 t80 -65.75 -50.31 65.22 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -41.93 -30.01 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.117 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -82.72 -42.74 17.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 1.034 HG22 HG23 ' A' ' 58' ' ' ILE . 41.6 mm -53.58 -27.21 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.142 -0.974 . . . . 0.0 108.969 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' A' ' 55' ' ' SER . 6.2 t70 -85.21 55.42 3.49 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 122.225 1.012 . . . . 0.0 108.488 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -29.11 -47.94 0.06 Allowed 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' SER . 38.1 p30 -87.35 39.93 0.9 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.353 -1.467 . . . . 0.0 111.201 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 29.35 35.6 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.596 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.5 m -96.6 25.6 5.03 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.585 -1.322 . . . . 0.0 108.515 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.21 23.37 1.76 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 30.9 m-85 -145.07 142.17 29.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.365 -1.079 . . . . 0.0 110.743 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.034 HG23 HG22 ' A' ' 50' ' ' ILE . 10.6 mm -89.69 106.15 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.64 157.64 18.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.879 -1.138 . . . . 0.0 110.011 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -48.83 -51.53 29.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.458 -0.776 . . . . 0.0 109.849 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -56.1 -31.79 63.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.277 -0.89 . . . . 0.0 110.32 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.636 ' CG ' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -74.08 -35.5 64.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.048 -1.033 . . . . 0.0 108.631 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 60' ' ' GLU . 28.9 mt -53.2 -44.98 68.41 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' HD13 ' A' ' 77' ' ' LEU . 9.2 tttp -60.19 -48.31 82.26 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 10.4 m-85 -90.42 37.44 0.91 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.826 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.621 HG13 ' N ' ' A' ' 67' ' ' LEU . 9.9 p -56.61 -49.62 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.621 ' N ' HG13 ' A' ' 66' ' ' VAL . 34.9 mt -81.49 8.59 9.14 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.457 -1.402 . . . . 0.0 110.062 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -53.66 -43.93 69.24 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.439 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -68.28 -28.99 67.68 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.669 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 5.7 m-30 -89.68 -0.67 57.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 70' ' ' PHE . . . 165.28 133.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.245 -0.91 . . . . 0.0 109.086 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.11 -54.26 38.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.027 . . . . 0.0 108.802 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.03 51.95 0.93 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.537 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -75.57 -69.97 1.33 Allowed Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.281 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.598 ' HB2' HD12 ' A' ' 67' ' ' LEU . 45.1 tpt85 -83.66 -75.22 0.34 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.058 -1.26 . . . . 0.0 111.135 -178.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 9.6 t0 74.08 60.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.562 HD23 ' N ' ' A' ' 82' ' ' THR . 8.0 mp -42.73 165.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.66 0.743 . . . . 0.0 110.759 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.661 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -92.46 -19.62 21.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.661 ' CB ' ' O ' ' A' ' 78' ' ' THR . 35.1 t0 121.55 -60.73 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 -177.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.43 73.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.464 ' OE2' ' NH2' ' A' ' 75' ' ' ARG . 24.2 mt-10 -62.1 -33.6 74.74 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.172 0.986 . . . . 0.0 108.852 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.562 ' N ' HD23 ' A' ' 77' ' ' LEU . 5.9 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -10.32 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -49.12 6.77 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -57.27 -47.3 81.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.341 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.523 HD13 ' CG ' ' A' ' 60' ' ' GLU . 4.7 tp -63.81 -43.95 94.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.552 -0.717 . . . . 0.0 110.292 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.75 1.71 16.45 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.064 -1.022 . . . . 0.0 110.345 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' O ' HD21 ' A' ' 105' ' ' LEU . . . -120.95 -13.38 8.62 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 108.857 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.09 9.46 11.17 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.421 -0.8 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 94' ' ' ASP . 25.0 t0 -126.94 73.29 1.4 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 0.2 OUTLIER -74.3 -23.67 59.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.29 -0.882 . . . . 0.0 109.611 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 34.4 p30 -85.53 -5.62 59.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 109.564 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.439 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 57.47 48.13 83.15 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 96' ' ' LYS . 22.0 p-10 -120.68 16.93 11.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -1.151 . . . . 0.0 109.732 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 86' ' ' LEU . . . 47.18 31.13 5.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.497 ' HD2' ' CG ' ' A' ' 57' ' ' PHE . 7.1 ttpp -148.0 135.64 20.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -1.092 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.552 ' O ' HG12 ' A' ' 58' ' ' ILE . 3.2 mp -122.97 99.31 6.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.406 -0.809 . . . . 0.0 109.258 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.61 -164.32 6.38 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.772 HG21 ' HG2' ' A' ' 44' ' ' LYS . 5.7 mm -73.91 -71.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.188 -1.183 . . . . 0.0 109.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 99' ' ' ILE . 1.4 p30 -37.23 -35.86 0.12 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.914 -1.116 . . . . 0.0 110.613 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -73.15 -46.0 53.48 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.343 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CE2' HG21 ' A' ' 106' ' ' VAL . 47.9 t80 -68.76 -54.16 17.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.64 -0.663 . . . . 0.0 110.478 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 9.8 pt-20 -64.6 -11.48 35.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.759 -1.213 . . . . 0.0 110.627 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -85.98 -49.93 7.46 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.576 HD23 ' CD2' ' A' ' 26' ' ' HIS . 4.6 tp -69.72 -55.2 10.59 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.727 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' A' ' 102' ' ' PHE . 99.8 t -49.69 -37.73 12.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.726 -0.608 . . . . 0.0 109.706 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 7.6 m170 -70.48 -41.07 73.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.096 -1.003 . . . . 0.0 109.631 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -89.39 33.66 0.82 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 0.0 109.506 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.477 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.437 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.543 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . 0 C--O 1.215 -0.757 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 0' ' ' ACE . . . 66.52 82.56 0.18 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.204 -0.935 . . . . 0.0 109.622 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' HB1' ' CZ ' ' A' ' 70' ' ' PHE . . . -111.37 16.45 20.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.261 -0.9 . . . . 0.0 109.218 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 2.4 ptpt -90.05 -30.54 17.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.302 -0.874 . . . . 0.0 109.309 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.511 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 51.7 m-20 -87.76 -6.72 58.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.262 -0.898 . . . . 0.0 109.538 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.8 tt -91.81 5.23 50.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.155 -0.965 . . . . 0.0 109.681 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' CB ' HD11 ' A' ' 11' ' ' ILE . 3.7 mp -129.56 -166.87 1.72 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.522 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.72 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.9 mptp? -100.86 -4.19 28.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 83.95 -45.59 0.1 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.334 0.588 . . . . 0.0 109.766 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.58 -32.88 74.71 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.325 -0.859 . . . . 0.0 109.723 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 5.5 m-20 -69.01 -28.64 66.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.957 -1.089 . . . . 0.0 108.642 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.9 mp -80.18 -19.22 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 0.0 109.089 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -87.57 -13.51 42.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.811 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -90.55 -50.92 5.66 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.058 -1.026 . . . . 0.0 108.356 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.623 ' HB1' ' CD2' ' A' ' 29' ' ' PHE . . . -64.01 -34.85 78.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.274 -0.891 . . . . 0.0 110.124 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -77.29 -33.41 55.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.547 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 3.5 m-20 -74.88 -20.58 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.309 -0.87 . . . . 0.0 110.189 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.08 -20.7 21.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.074 -1.016 . . . . 0.0 109.496 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 14' ' ' ALA . 33.3 m -108.57 -20.61 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.827 -1.17 . . . . 0.0 111.861 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -31.02 -31.66 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.742 -0.599 . . . . 0.0 112.022 -178.07 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.827 ' HB3' ' HB3' ' A' ' 23' ' ' SER . . . -47.9 170.8 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.738 -1.227 . . . . 0.0 109.136 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -97.59 71.07 2.27 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.144 -1.022 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.1 16.32 1.77 Allowed Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.827 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 3.4 p -111.03 26.1 11.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.51 -0.994 . . . . 0.0 110.094 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 18.1 t80 -90.67 146.73 23.78 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.628 -1.295 . . . . 0.0 109.589 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.576 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -139.11 131.66 28.75 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.83 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.612 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 6.1 p80 -68.52 -33.03 73.42 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.241 . . . . 0.0 108.887 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.612 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -78.15 -50.73 11.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.486 -0.759 . . . . 0.0 110.575 -179.779 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.67 -48.76 71.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.086 -1.009 . . . . 0.0 110.023 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 38.6 t80 -54.08 -70.27 0.1 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.459 -0.775 . . . . 0.0 110.269 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -56.55 -32.65 65.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -56.72 -53.58 56.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.997 . . . . 0.0 109.488 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -37.02 85.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' PHE . 71.7 t -47.08 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 144.87 -35.88 1.46 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.775 ' CD2' HG11 ' A' ' 46' ' ' VAL . 32.2 tp -40.96 -27.08 0.05 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.535 -0.98 . . . . 0.0 110.399 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -43.52 -63.74 0.78 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.129 -0.982 . . . . 0.0 110.093 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.06 45.41 0.96 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.502 ' HB2' ' HA ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -80.61 -69.73 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.022 -1.049 . . . . 0.0 109.374 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.882 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.2 p 175.46 112.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.271 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.81 -30.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.747 -0.596 . . . . 0.0 111.434 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.9 t30 -76.62 -59.07 2.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.816 -1.178 . . . . 0.0 109.969 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' HB2' ' OG ' ' A' ' 39' ' ' SER . 51.6 m-20 -70.31 -3.1 15.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.035 -1.041 . . . . 0.0 109.637 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 39' ' ' SER . 44.4 t -90.55 -43.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -61.63 -23.98 66.41 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -78.27 -32.09 49.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.775 HG11 ' CD2' ' A' ' 35' ' ' LEU . 25.6 t -64.43 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -64.42 -50.47 67.46 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.764 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -42.46 -28.72 0.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.21 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -86.47 -40.39 15.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.433 -0.792 . . . . 0.0 109.196 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.891 HG22 HG23 ' A' ' 58' ' ' ILE . 42.2 mm -51.16 -36.74 16.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.78 66.42 9.62 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 53.31 0.83 Allowed 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.794 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -150.89 -90.2 0.06 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 178.797 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 169.05 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.198 -0.939 . . . . 0.0 111.366 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.615 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 91.4 p -146.24 33.22 0.99 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.722 -1.236 . . . . 0.0 109.515 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 30.5 36.52 0.02 OUTLIER Glycine 0 N--CA 1.5 2.924 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.3 m-85 -149.8 144.17 25.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -1.186 . . . . 0.0 110.687 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.891 HG23 HG22 ' A' ' 50' ' ' ILE . 9.3 mm -90.21 107.08 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.68 162.51 16.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.823 -1.173 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.95 -37.43 20.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.498 -0.752 . . . . 0.0 109.747 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 5.9 pt-20 -64.12 -36.4 83.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 110.357 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 66' ' ' VAL . 57.8 mm-40 -71.62 -29.03 64.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.054 -1.029 . . . . 0.0 108.241 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 63' ' ' LEU . 20.1 mt -65.68 -34.88 79.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.759 ' O ' HD23 ' A' ' 77' ' ' LEU . 35.4 tttp -68.15 -49.13 62.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.239 -0.913 . . . . 0.0 109.361 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.8 m-85 -98.24 12.78 33.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.235 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 p -37.91 -27.22 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.72 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.59 42.17 1.13 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.712 -1.242 . . . . 0.0 109.403 -179.716 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HG3' ' HA ' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -100.24 -27.11 13.67 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.543 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 m -78.23 -24.89 46.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 19.1 m-85 -90.65 -11.55 39.49 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB3' ' HA3' ' A' ' 74' ' ' GLY . . . -178.77 111.79 0.06 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -39.35 -38.08 0.51 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.421 -0.8 . . . . 0.0 109.663 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -138.01 58.47 1.68 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -88.69 -88.44 1.19 Allowed Glycine 0 N--CA 1.484 1.864 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 81' ' ' GLU . 27.9 tpt85 -91.63 112.16 23.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.525 -0.985 . . . . 0.0 110.18 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.49 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 30.2 t70 -96.46 112.55 24.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 64' ' ' LYS . 2.6 mm? -54.86 142.64 28.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.757 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.657 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -91.72 -20.87 21.1 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.893 . . . . 0.0 110.147 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.657 ' CB ' ' O ' ' A' ' 78' ' ' THR . 17.3 t70 124.97 -61.62 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.17 84.05 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.574 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . 51.1 mt-10 -64.04 -25.24 68.02 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.924 0.868 . . . . 0.0 109.522 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.698 ' N ' HD12 ' A' ' 77' ' ' LEU . 10.2 m -84.6 -23.17 29.7 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -80.49 -12.2 59.57 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.6 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.64 -50.41 6.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CG ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -57.13 -47.09 81.97 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.327 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.04 -40.67 91.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.478 -0.764 . . . . 0.0 110.266 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -78.33 2.81 17.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.103 -0.998 . . . . 0.0 110.194 -179.314 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.24 -17.38 8.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.135 -0.978 . . . . 0.0 108.994 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB1' HG12 ' A' ' 97' ' ' ILE . . . -100.53 -24.41 14.47 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.338 -0.851 . . . . 0.0 109.791 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.6 t70 -93.92 179.01 5.48 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.069 -1.02 . . . . 0.0 109.468 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 176.08 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.659 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 92' ' ' ASP . 35.5 p-10 -63.51 -11.6 25.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.903 . . . . 0.0 109.5 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.14 27.13 45.99 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -95.53 -12.12 26.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.225 -1.162 . . . . 0.0 110.025 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.31 23.82 68.57 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -147.21 133.84 19.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -1.104 . . . . 0.0 109.072 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.703 HG12 ' HB1' ' A' ' 89' ' ' ALA . 4.3 mp -107.65 97.16 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.68 -157.77 1.76 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.7 mm -74.34 -74.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.98 -1.306 . . . . 0.0 110.006 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -39.11 -35.6 0.24 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.918 -1.114 . . . . 0.0 110.358 -178.349 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.03 -44.79 62.83 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.75 ' O ' HG23 ' A' ' 106' ' ' VAL . 60.1 t80 -71.23 -54.61 10.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.644 -0.66 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 100' ' ' ASP . 10.9 pt-20 -59.31 -23.02 62.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.776 -1.202 . . . . 0.0 109.679 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.521 ' O ' ' CG ' ' A' ' 108' ' ' GLU . 1.3 m -79.8 -29.07 40.19 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.519 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 1.9 mm? -79.34 -33.91 42.62 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 102' ' ' PHE . 1.4 t -76.51 -44.64 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.703 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 6.5 m80 -60.29 -33.69 72.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.102 -0.999 . . . . 0.0 108.885 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 104' ' ' THR . 6.1 mm-40 -77.36 -35.64 54.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.366 -0.833 . . . . 0.0 109.352 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.418 ' OXT' ' HG3' ' A' ' 36' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.422 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.511 ' H2 ' ' OG ' ' A' ' 69' ' ' SER . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 0' ' ' ACE . . . 43.55 59.74 2.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.287 -0.883 . . . . 0.0 109.501 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.534 ' O ' HD23 ' A' ' 6' ' ' LEU . . . -111.31 15.66 21.29 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.203 -0.935 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -90.28 -29.58 18.05 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.257 -0.902 . . . . 0.0 109.465 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.1 -15.39 62.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.577 ' C ' HD22 ' A' ' 6' ' ' LEU . 2.4 tt -94.41 7.71 44.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.577 HD22 ' C ' ' A' ' 5' ' ' LEU . 4.0 mm? -117.49 -171.19 2.0 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.222 -0.924 . . . . 0.0 109.618 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -104.51 0.76 29.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.681 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 84.4 -60.55 0.1 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 0.0 109.424 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 64.7 m-20 -61.58 -23.93 66.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.48 -0.762 . . . . 0.0 109.545 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 5.1 m-20 -72.53 -27.54 62.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.045 -1.034 . . . . 0.0 108.96 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' ALA . 5.1 mt -79.67 -29.2 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.296 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 15.1 ptpt -86.22 -8.67 57.61 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 109.735 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.511 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -67.12 -49.29 65.39 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.355 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.72 HD22 ' CE1' ' A' ' 29' ' ' PHE . 3.2 mm? -60.78 -34.84 75.09 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.451 -0.781 . . . . 0.0 109.232 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 6.5 m-20 -70.92 -20.97 62.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.139 -0.975 . . . . 0.0 109.899 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.98 -22.19 20.94 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.254 -0.904 . . . . 0.0 109.62 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 24' ' ' PHE . 33.2 m -103.4 -23.32 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 118.782 -1.167 . . . . 0.0 112.058 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HA ' ' HD2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -33.61 -29.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.613 -0.68 . . . . 0.0 111.601 -178.121 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.966 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -48.58 174.7 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.89 -1.131 . . . . 0.0 109.104 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -97.95 70.24 2.12 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.86 18.14 2.68 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.966 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 93.1 p -101.95 14.66 31.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.531 -0.982 . . . . 0.0 111.049 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.57 ' HA ' HG12 ' A' ' 18' ' ' VAL . 34.0 t80 -81.59 134.37 35.49 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.531 -1.356 . . . . 0.0 109.858 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -133.85 99.61 4.5 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.911 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 19.7 p-80 -37.05 -29.43 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 110.669 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.652 ' O ' ' HB1' ' A' ' 109' ' ' ALA . 2.9 mtpm? -76.86 -56.64 4.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.21 -0.931 . . . . 0.0 110.892 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 6.2 mmpt? -66.82 -49.71 64.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.112 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.72 ' CE1' HD22 ' A' ' 15' ' ' LEU . 72.0 t80 -48.7 -63.89 0.96 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 110.228 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.96 -32.67 74.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.465 -0.772 . . . . 0.0 110.794 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -34.98 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.134 -0.979 . . . . 0.0 109.873 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mt -80.42 -52.62 7.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 0.0 110.414 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.605 HG13 ' H ' ' A' ' 35' ' ' LEU . 1.6 p -47.32 -42.69 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.005 -1.059 . . . . 0.0 110.305 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 130.73 -23.51 4.45 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.543 -1.348 . . . . 0.0 110.104 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -42.55 -31.1 0.4 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -1.148 . . . . 0.0 110.17 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.61 -50.84 71.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 110.025 -179.39 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.44 23.55 8.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 110.769 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -176.87 2.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.133 . . . . 0.0 109.177 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 43' ' ' VAL . 86.5 p -97.92 122.13 40.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.43 -29.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.708 -0.62 . . . . 0.0 111.394 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.3 OUTLIER -73.01 -56.79 4.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.738 -1.226 . . . . 0.0 108.031 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.853 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.69 0.74 9.9 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.965 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.908 HG21 ' CE1' ' A' ' 107' ' ' HIS . 58.8 t -92.34 -47.33 14.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' CD ' HG21 ' A' ' 99' ' ' ILE . 8.4 mtmm -65.44 -21.82 66.7 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.32 -1.734 . . . . 0.0 106.32 177.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.5 -31.58 37.18 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 42' ' ' ASP . 33.1 t -66.04 -38.53 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.4 t80 -65.92 -51.69 56.41 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.067 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.492 ' HE3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -44.88 -29.09 0.74 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.404 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -81.4 -41.98 21.1 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.919 HG22 HG23 ' A' ' 58' ' ' ILE . 44.4 mm -50.71 -32.78 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 57' ' ' PHE . 16.3 t70 -79.43 74.81 6.04 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.52 50.61 0.82 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.035 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -151.54 -94.53 0.06 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 173.98 56.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 110.644 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.0 p -147.32 35.14 0.88 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.034 -1.041 . . . . 0.0 109.21 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 31.91 35.56 0.02 OUTLIER Glycine 0 N--CA 1.498 2.789 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 m-85 -148.11 148.97 31.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -1.141 . . . . 0.0 110.754 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.919 HG23 HG22 ' A' ' 50' ' ' ILE . 7.9 mm -89.79 111.53 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.59 153.45 21.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.908 -1.12 . . . . 0.0 109.781 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.4 mt-10 -51.88 -47.08 64.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 0.0 109.805 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.23 -29.07 68.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 110.248 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 21.8 mm-40 -75.16 -35.96 61.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 108.619 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.583 ' O ' HG12 ' A' ' 66' ' ' VAL . 37.1 mt -55.43 -40.75 71.92 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.251 0.548 . . . . 0.0 109.962 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -49.09 59.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.038 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -89.34 21.72 3.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.572 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 63' ' ' LEU . 6.7 p -78.72 22.89 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.088 -1.007 . . . . 0.0 111.194 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 75' ' ' ARG . 68.0 mt -122.27 16.92 10.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.497 -1.377 . . . . 0.0 109.854 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -32.65 18.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 108.737 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.511 ' OG ' ' H2 ' ' A' ' 0' ' ' ACE . 62.4 m -85.39 -23.07 28.1 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.418 ' O ' HG21 ' A' ' 11' ' ' ILE . 5.9 m-85 -99.24 -19.55 17.04 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 67' ' ' LEU . . . -144.83 119.04 9.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.58 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.862 . . . . 0.0 111.057 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -89.55 -32.52 17.11 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.767 -1.208 . . . . 0.0 109.983 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.18 79.5 0.53 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.543 ' HB3' HD13 ' A' ' 67' ' ' LEU . 2.7 ttp85 -57.82 90.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -1.048 . . . . 0.0 110.009 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -48.07 128.86 14.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.981 -1.074 . . . . 0.0 108.855 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 82' ' ' THR . 5.8 mp -65.35 176.53 1.36 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.2 m -95.38 -6.32 41.27 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.315 -0.866 . . . . 0.0 109.671 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.9 t0 105.02 -61.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.14 73.85 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.593 ' C ' HD23 ' A' ' 77' ' ' LEU . 84.2 mt-10 -63.54 -31.5 72.68 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.975 0.893 . . . . 0.0 109.063 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.627 ' N ' HD23 ' A' ' 77' ' ' LEU . 4.4 m -78.83 -25.46 44.12 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -84.58 -6.98 59.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.4 -47.51 7.69 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -49.34 72.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.92 -41.51 95.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.472 -0.768 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -79.62 6.01 11.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.871 -1.143 . . . . 0.0 110.291 -179.271 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.911 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -116.67 -23.07 8.33 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.967 -1.083 . . . . 0.0 108.804 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 97' ' ' ILE . . . -119.79 14.16 12.48 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.464 -0.773 . . . . 0.0 109.385 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.513 ' HB2' HD11 ' A' ' 97' ' ' ILE . 10.1 t0 -138.74 83.2 1.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.33 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.13 59.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 0.0 109.683 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 94' ' ' ASP . 2.6 p30 -76.54 -12.21 59.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.628 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.05 59.13 10.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.482 ' OD2' ' HB2' ' A' ' 96' ' ' LYS . 15.6 p-10 -112.86 10.28 19.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -1.186 . . . . 0.0 109.898 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.455 ' HA3' ' OE2' ' A' ' 60' ' ' GLU . . . 56.63 27.23 54.58 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.482 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 9.6 mttt -150.33 115.64 5.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.017 -1.284 . . . . 0.0 109.532 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 89' ' ' ALA . 22.7 mm -99.25 105.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.466 -0.771 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.64 -169.73 33.6 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 13.0 mm -69.32 -73.56 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.201 -1.176 . . . . 0.0 110.495 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.8 m-20 -37.83 -38.49 0.3 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.038 -1.039 . . . . 0.0 110.558 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -46.81 70.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.932 -1.105 . . . . 0.0 108.022 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 36.7 t80 -68.05 -55.8 11.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.819 -0.551 . . . . 0.0 111.492 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.552 ' HG3' ' ND1' ' A' ' 107' ' ' HIS . 27.1 tt0 -66.64 -8.5 27.9 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.572 -1.33 . . . . 0.0 110.195 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.557 HG22 HD22 ' A' ' 105' ' ' LEU . 2.6 m -90.69 -49.51 6.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.139 -0.976 . . . . 0.0 108.582 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.557 HD22 HG22 ' A' ' 104' ' ' THR . 3.6 mm? -80.5 -12.58 59.52 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.238 -0.914 . . . . 0.0 109.936 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 102' ' ' PHE . 60.8 t -90.28 -35.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.246 -0.909 . . . . 0.0 109.22 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.908 ' CE1' HG21 ' A' ' 43' ' ' VAL . 12.5 m170 -81.58 -32.7 32.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.336 -0.853 . . . . 0.0 109.404 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' O ' ' OXT' ' A' ' 109' ' ' ALA . 7.1 mm-40 -94.94 37.74 1.14 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.233 -0.917 . . . . 0.0 109.476 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.471 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.78 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -125.6 -46.85 1.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.18 8.06 44.1 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.289 -0.882 . . . . 0.0 108.788 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -75.71 -34.37 60.36 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.322 -0.861 . . . . 0.0 108.946 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -88.61 -2.93 58.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.437 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -100.11 8.51 43.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' CB ' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -130.13 -167.74 1.86 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.75 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.722 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 tttm -86.46 -12.34 49.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 0.0 109.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 84.15 -62.85 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.437 0.637 . . . . 0.0 109.737 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.92 -32.24 73.49 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.386 -0.821 . . . . 0.0 110.026 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.503 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 40.4 m-20 -63.93 -33.42 75.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.925 -1.11 . . . . 0.0 108.97 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.625 HG21 ' HB3' ' A' ' 70' ' ' PHE . 3.9 mt -74.43 -31.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 1.2 mttp -75.99 -8.7 57.56 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 0.0 109.146 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -45.7 11.2 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.858 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -70.1 -48.5 57.39 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.298 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD13 HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -59.3 -32.05 69.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.064 179.383 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 21.3 m-20 -77.04 -23.56 52.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 110.118 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -17.59 25.44 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.981 -1.075 . . . . 0.0 109.383 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 14' ' ' ALA . 31.4 m -110.53 -20.95 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.871 -1.143 . . . . 0.0 111.32 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -35.74 -28.38 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.388 -0.82 . . . . 0.0 111.178 -178.471 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.941 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -45.56 173.33 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.09 -1.006 . . . . 0.0 109.854 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.66 70.47 3.02 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.325 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.91 15.02 3.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.941 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 88.8 p -98.53 9.6 42.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.491 -1.005 . . . . 0.0 111.24 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 20.5 t80 -92.19 134.99 34.35 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.469 -1.394 . . . . 0.0 110.097 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -116.22 -91.32 0.53 Allowed 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.112 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.758 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 5.9 p80 173.01 -31.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.758 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 3.6 mtmp? -82.69 -51.29 7.86 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.388 -0.82 . . . . 0.0 110.313 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.69 -31.89 71.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.944 -179.002 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 80.9 t80 -68.59 -68.15 0.42 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.097 -1.002 . . . . 0.0 109.478 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.43 ' HE2' ' CE2' ' A' ' 85' ' ' PHE . 29.1 m-85 -53.26 -29.93 35.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 110.248 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.94 64.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.766 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.3 mt -74.44 -1.9 23.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.964 . . . . 0.0 110.353 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 29' ' ' PHE . 89.7 t -84.13 -61.37 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.868 -1.145 . . . . 0.0 109.887 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.75 -35.03 1.12 Allowed Glycine 0 N--CA 1.49 2.234 0 C-N-CA 119.56 -1.305 . . . . 0.0 109.949 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.799 ' H ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -61.6 -9.79 6.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.041 -1.27 . . . . 0.0 110.637 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.5 -22.15 7.58 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.904 -1.123 . . . . 0.0 109.197 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.57 58.84 0.27 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 0.0 109.641 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.424 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -88.1 -64.71 1.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 109.299 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.85 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.2 p 170.37 122.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 109.547 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.13 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.715 -0.616 . . . . 0.0 111.146 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' SER . 12.3 t-20 -75.6 -52.03 11.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.947 -1.096 . . . . 0.0 109.549 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.825 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 m-20 -74.22 -0.79 17.98 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.186 -0.946 . . . . 0.0 109.087 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 39' ' ' SER . 48.8 t -92.06 -45.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -63.99 -21.77 66.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 177.771 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.54 -29.87 37.15 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 42' ' ' ASP . 62.4 t -70.44 -47.5 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.719 ' CG ' HD13 ' A' ' 99' ' ' ILE . 2.2 t80 -60.55 -50.86 71.87 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -47.58 -28.58 2.36 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.282 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -80.4 -38.7 29.78 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.71 HD12 HG23 ' A' ' 66' ' ' VAL . 25.4 mm -58.87 -32.12 46.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.542 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 27.4 t0 -51.49 85.99 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.874 0.845 . . . . 0.0 109.111 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -66.98 -54.46 21.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.909 -0.495 . . . . 0.0 111.671 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' OD2' ' OE1' ' A' ' 59' ' ' GLU . 2.2 p30 -89.0 26.89 1.45 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.67 -1.269 . . . . 0.0 110.64 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.542 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 48.01 35.91 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.273 -0.892 . . . . 0.0 111.425 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -107.94 30.13 6.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.572 -1.33 . . . . 0.0 108.804 179.141 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 41.53 37.73 1.92 Allowed Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.7 m-85 -150.47 145.76 26.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -1.084 . . . . 0.0 110.023 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.671 HG23 HG22 ' A' ' 50' ' ' ILE . 1.8 mm -101.06 96.25 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' OE1' ' OD2' ' A' ' 53' ' ' ASP . 3.3 mt-10 -89.54 171.74 9.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.167 -0.958 . . . . 0.0 110.531 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.813 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -54.45 -41.2 69.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.669 -0.645 . . . . 0.0 110.336 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -62.82 -27.94 69.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.069 -1.019 . . . . 0.0 109.967 -179.409 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.505 ' OE1' ' HA ' ' A' ' 58' ' ' ILE . 15.6 mt-10 -76.2 -46.79 26.7 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.966 ' O ' HG12 ' A' ' 66' ' ' VAL . 88.8 mt -44.66 -43.14 8.09 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HB2' ' OG1' ' A' ' 82' ' ' THR . 16.0 tttt -69.99 -38.82 76.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 108.856 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -94.9 20.25 9.12 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.311 -0.868 . . . . 0.0 109.619 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 63' ' ' LEU . 10.0 p -86.26 44.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 0.0 108.558 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -132.78 -56.44 0.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.648 -0.657 . . . . 0.0 109.874 -179.434 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -34.64 -32.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.504 -0.747 . . . . 0.0 110.967 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -43.23 -51.17 6.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.151 -0.968 . . . . 0.0 109.591 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.625 ' HB3' HG21 ' A' ' 11' ' ' ILE . 5.8 m-85 -88.04 -31.04 19.5 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' A' ' 68' ' ' LYS . . . -145.57 103.86 3.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.73 -1.231 . . . . 0.0 110.648 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.613 ' O ' ' HG3' ' A' ' 68' ' ' LYS . . . -39.59 -35.14 0.28 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.395 -0.816 . . . . 0.0 110.418 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -139.15 58.3 1.64 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.56 -90.88 1.4 Allowed Glycine 0 N--CA 1.479 1.562 0 C-N-CA 120.091 -1.052 . . . . 0.0 110.643 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -92.32 -68.58 0.79 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.478 -1.013 . . . . 0.0 111.302 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 33.3 t0 80.04 95.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 63' ' ' LEU . 24.6 mt -66.82 157.3 33.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 110.729 -178.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.528 HG23 ' OE1' ' A' ' 81' ' ' GLU . 1.3 p -104.77 173.2 6.41 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.5 -46.39 38.25 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 121.513 -0.742 . . . . 0.0 110.507 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.56 85.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.932 -1.105 . . . . 0.0 109.381 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.528 ' OE1' HG23 ' A' ' 78' ' ' THR . 8.9 mt-10 -57.19 -30.34 64.45 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.101 0.953 . . . . 0.0 109.948 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.459 ' OG1' ' HB2' ' A' ' 64' ' ' LYS . 10.1 m -86.63 -22.33 26.24 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.334 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -77.65 -14.1 59.72 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.52 6.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.194 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.813 HD13 ' CG ' ' A' ' 60' ' ' GLU . 21.2 tp -64.29 -46.06 85.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.655 -0.653 . . . . 0.0 111.196 -178.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.483 ' CD ' ' O ' ' A' ' 83' ' ' LYS . 20.7 ptmt -78.8 -12.32 60.02 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.82 -1.175 . . . . 0.0 111.015 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.85 -6.39 15.25 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.847 -1.158 . . . . 0.0 108.85 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -101.11 -31.07 11.23 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.344 -0.848 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 92' ' ' ASP . 3.3 t0 -98.9 118.53 35.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.118 -0.989 . . . . 0.0 109.137 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -79.12 -44.52 21.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.129 -0.982 . . . . 0.0 109.656 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 90' ' ' ASP . 43.6 p-10 -92.02 3.71 54.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.302 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.31 56.02 11.59 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.491 ' OD2' ' HG2' ' A' ' 96' ' ' LYS . 7.9 p-10 -89.09 -28.84 19.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.343 -1.092 . . . . 0.0 109.193 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.26 -5.45 13.33 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.86 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.491 ' HG2' ' OD2' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -149.99 137.24 19.68 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.698 -1.472 . . . . 0.0 110.774 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.561 ' O ' HG12 ' A' ' 58' ' ' ILE . 36.2 mm -102.73 100.19 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.17 -168.07 5.53 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.719 HD13 ' CG ' ' A' ' 47' ' ' PHE . 6.9 mm -71.38 -69.29 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.241 -1.152 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 99' ' ' ILE . 12.8 t0 -39.15 -35.72 0.26 Allowed 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.899 -1.126 . . . . 0.0 110.713 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.403 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -75.82 -41.55 52.35 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.802 -1.186 . . . . 0.0 108.057 178.748 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 106' ' ' VAL . 38.0 t80 -70.35 -54.1 13.9 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.564 -0.71 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -59.91 -27.98 67.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.334 -1.479 . . . . 0.0 109.25 -179.792 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 2.3 m -79.57 -24.65 41.93 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' VAL . 2.3 tt -82.66 -66.59 0.87 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.637 HG12 HD23 ' A' ' 35' ' ' LEU . 2.7 t -40.78 -41.6 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.632 -0.667 . . . . 0.0 109.415 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.23 -71.06 0.21 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.28 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.72 -70.7 0.11 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 109.321 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.691 ' HB1' ' CG ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.424 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.867 ' H1 ' ' CB ' ' A' ' 69' ' ' SER . . . . . . . . 0 C--O 1.215 -0.721 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 0' ' ' ACE . . . 179.0 35.88 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.16 -0.963 . . . . 0.0 109.624 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.487 ' O ' ' HD3' ' A' ' 7' ' ' LYS . . . -104.1 12.78 33.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.921 . . . . 0.0 108.871 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.558 ' CG ' ' HG2' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -75.25 -16.7 60.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.533 -0.729 . . . . 0.0 110.267 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -80.79 -25.51 37.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.053 -1.029 . . . . 0.0 111.081 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.615 ' HB3' HD23 ' A' ' 6' ' ' LEU . 14.9 tp -89.04 -45.06 9.93 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.888 -1.132 . . . . 0.0 109.105 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.676 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 1.5 pt? -153.08 -164.22 1.88 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.396 -0.815 . . . . 0.0 109.274 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.676 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 1.9 mptt 133.21 58.23 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 123.287 0.635 . . . . 0.0 109.657 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.417 ' H ' HD13 ' A' ' 11' ' ' ILE . . . -147.87 -110.24 0.08 Allowed 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.08 -1.013 . . . . 0.0 110.424 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.43 -22.92 66.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.848 -1.158 . . . . 0.0 110.19 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.466 ' C ' HD12 ' A' ' 11' ' ' ILE . 12.5 m-20 -75.39 -27.72 59.2 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.977 -1.077 . . . . 0.0 109.191 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.805 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.5 mp -91.15 -15.17 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.435 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 2.1 mmtp -81.64 -29.29 33.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -87.51 -42.15 12.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.232 -0.917 . . . . 0.0 108.617 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.76 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -64.73 -54.19 35.35 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.295 -0.878 . . . . 0.0 110.236 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 67' ' ' LEU . 12.5 mt -60.86 -40.73 94.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.63 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 16.9 m-20 -65.03 -21.18 66.8 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 108.876 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.26 -19.11 30.42 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.584 ' CG1' ' HA ' ' A' ' 24' ' ' PHE . 27.7 m -139.55 37.06 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.341 -0.849 . . . . 0.0 111.281 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -82.37 -11.83 58.33 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.341 -1.475 . . . . 0.0 111.673 -178.438 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.683 ' HB3' ' CB ' ' A' ' 23' ' ' SER . . . -70.13 176.39 3.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.703 -1.248 . . . . 0.0 110.172 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -95.81 71.69 3.01 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.186 0.993 . . . . 0.0 109.017 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.544 ' HA2' ' CG ' ' A' ' 81' ' ' GLU . . . 130.8 17.05 1.55 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 108.982 -1.647 . . . . 0.0 108.982 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.683 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 88.9 p -108.9 27.31 9.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.516 -0.991 . . . . 0.0 110.193 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.584 ' HA ' ' CG1' ' A' ' 18' ' ' VAL . 28.1 t80 -89.31 143.77 26.58 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 120.666 -1.271 . . . . 0.0 110.928 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.541 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 59.1 m-80 -135.89 121.5 19.55 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 16.1 p-80 -64.26 -29.53 70.62 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.706 -1.246 . . . . 0.0 110.083 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.848 ' HA ' ' HB1' ' A' ' 109' ' ' ALA . 7.9 mtpt -80.65 -56.71 3.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 111.315 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -67.48 -41.88 83.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.879 -1.138 . . . . 0.0 109.799 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.76 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 75.5 t80 -55.64 -62.59 1.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.432 -0.793 . . . . 0.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -64.34 -37.04 86.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 0.0 110.39 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.98 -42.69 63.15 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.104 -0.997 . . . . 0.0 108.684 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' VAL . 12.7 mt -72.23 -51.06 22.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.48 -0.763 . . . . 0.0 109.482 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 29' ' ' PHE . 60.9 t -40.39 -57.93 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.443 -0.785 . . . . 0.0 109.838 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.83 -20.03 5.47 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.746 HD22 HG11 ' A' ' 46' ' ' VAL . 30.7 tp -60.31 -11.6 6.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.128 -1.219 . . . . 0.0 110.514 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' CE ' ' O ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -75.16 1.14 14.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.903 -1.123 . . . . 0.0 109.984 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HB2' ' HE2' ' A' ' 36' ' ' LYS . . . -168.07 45.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.67 -57.47 2.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.279 -0.888 . . . . 0.0 109.596 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.792 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER 165.96 116.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.664 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' CB ' ' OE2' ' A' ' 103' ' ' GLU . . . -35.45 -29.78 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.711 -0.618 . . . . 0.0 111.164 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.6 t30 -74.66 -53.34 9.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.797 -1.189 . . . . 0.0 109.129 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' VAL . 14.5 m-20 -72.59 -1.37 15.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.285 -0.884 . . . . 0.0 109.196 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 39' ' ' SER . 42.2 t -92.56 -45.44 14.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -22.83 66.35 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -30.86 48.2 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.746 HG11 HD22 ' A' ' 35' ' ' LEU . 6.5 t -69.38 -46.38 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.491 -1.283 . . . . 0.0 108.041 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 58' ' ' ILE . 2.1 t80 -59.4 -52.37 65.9 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.385 0.612 . . . . 0.0 109.48 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -47.95 -26.18 1.64 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -87.84 -34.78 18.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.583 -0.698 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 58' ' ' ILE . 22.1 mm -54.17 -36.86 33.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 5.3 t0 -73.81 76.76 1.6 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.845 ' HB3' ' OE1' ' A' ' 62' ' ' GLU . . . -79.43 49.76 1.03 Allowed 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.075 0.464 . . . . 0.0 111.166 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -151.39 -92.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.689 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 175.09 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.201 -0.937 . . . . 0.0 110.675 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.5 p -143.28 32.86 1.33 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.793 -1.192 . . . . 0.0 109.525 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 35.33 31.34 0.02 OUTLIER Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.625 ' C ' HD12 ' A' ' 58' ' ' ILE . 29.5 m-85 -148.25 156.76 42.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -1.172 . . . . 0.0 110.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.886 HD13 ' CE2' ' A' ' 47' ' ' PHE . 1.5 mp -105.31 101.72 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.25 167.09 13.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.965 -1.084 . . . . 0.0 110.502 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.791 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.3 mp0 -46.92 -37.5 9.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.584 -0.698 . . . . 0.0 109.618 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -42.6 99.0 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.307 -0.871 . . . . 0.0 110.066 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.845 ' OE1' ' HB3' ' A' ' 52' ' ' ALA . 61.0 mm-40 -71.91 -22.08 61.54 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 60' ' ' GLU . 77.8 mt -74.06 -17.88 60.9 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 1.4 tttp -89.37 -30.46 18.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.0 108.979 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' LEU . 3.3 m-85 -94.78 -9.01 35.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.801 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.993 HG13 ' CD2' ' A' ' 67' ' ' LEU . 2.9 p -39.11 -25.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.219 -0.925 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.993 ' CD2' HG13 ' A' ' 66' ' ' VAL . 2.0 mm? -86.66 -43.44 12.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.605 -1.31 . . . . 0.0 108.067 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HG2' ' HA ' ' A' ' 72' ' ' ALA . 6.3 ttpt -53.57 -28.1 30.11 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.401 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.867 ' CB ' ' H1 ' ' A' ' 0' ' ' ACE . 1.4 m -73.38 -30.15 63.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.868 -1.145 . . . . 0.0 109.942 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 5.7 m-30 -93.47 -17.83 23.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.181 -0.949 . . . . 0.0 110.982 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.687 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -132.12 -34.09 1.28 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.725 -1.235 . . . . 0.0 110.359 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 71' ' ' ALA . . . 98.59 -44.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.62 36.13 0.57 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.24 -78.61 0.96 Allowed Glycine 0 N--CA 1.486 1.97 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.325 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.538 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 9.3 mmm-85 -90.59 -70.16 0.69 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -1.213 . . . . 0.0 111.566 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 5.3 t70 80.47 96.16 0.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 82' ' ' THR . 3.6 mm? -37.58 153.97 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.538 0.685 . . . . 0.0 110.846 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.619 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -98.87 -23.5 15.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.522 -0.736 . . . . 0.0 110.222 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.619 ' CB ' ' O ' ' A' ' 78' ' ' THR . 87.0 m-20 124.76 -61.22 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 104.705 -2.332 . . . . 0.0 104.705 -177.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.36 90.82 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.544 ' CG ' ' HA2' ' A' ' 22' ' ' GLY . 26.3 mt-10 -61.85 -35.63 78.84 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.956 0.884 . . . . 0.0 108.839 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.821 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.8 m -75.02 -22.29 58.56 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -81.25 -9.33 59.79 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.593 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.7 -47.46 8.23 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.541 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.43 81.79 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.56 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.526 -0.734 . . . . 0.0 110.485 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.45 ' O ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -84.55 9.57 13.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.056 -1.028 . . . . 0.0 110.355 -179.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.468 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -117.35 -20.44 9.13 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HA ' ' HG ' ' A' ' 105' ' ' LEU . . . -114.16 -31.3 6.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.511 -0.743 . . . . 0.0 110.937 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -86.18 99.17 11.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.733 -1.229 . . . . 0.0 109.4 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.98 -50.53 11.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -74.39 -7.3 52.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.457 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 53.66 56.46 20.14 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.9 -26.63 20.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.146 . . . . 0.0 109.463 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.63 -18.5 17.28 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 133.1 45.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.267 . . . . 0.0 110.079 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.472 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 46.7 mm -92.73 105.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CE2' ' A' ' 47' ' ' PHE . . . -78.71 -175.21 45.75 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.681 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.2 mm -68.11 -70.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.219 -1.165 . . . . 0.0 110.423 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 99' ' ' ILE . 29.6 m-20 -39.14 -37.06 0.36 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.884 -1.135 . . . . 0.0 110.618 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -44.16 64.1 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.741 ' O ' HG23 ' A' ' 106' ' ' VAL . 10.4 t80 -67.77 -59.44 3.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.739 -0.6 . . . . 0.0 110.822 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 40' ' ' ALA . 69.8 tt0 -58.83 -16.99 19.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.581 -1.324 . . . . 0.0 110.376 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -86.2 -38.09 18.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.208 -0.932 . . . . 0.0 109.154 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.503 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 1.6 mm? -78.18 -53.66 7.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 109.793 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 102' ' ' PHE . 2.0 t -55.94 -40.87 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.883 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.662 ' NE2' HG21 ' A' ' 43' ' ' VAL . 12.0 m170 -65.87 -35.57 81.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.032 -1.043 . . . . 0.0 109.914 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 105' ' ' LEU . 11.8 pt-20 -88.24 -4.22 58.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.803 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.848 ' HB1' ' HA ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.667 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.77 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -112.56 -17.35 12.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.881 ' O ' HD23 ' A' ' 6' ' ' LEU . . . -106.79 17.38 23.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 108.9 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HG3' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -82.3 -39.39 22.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.372 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.422 ' OD1' ' HG3' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -64.63 -19.19 65.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.238 -0.914 . . . . 0.0 109.064 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -105.38 37.33 2.23 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.368 -0.832 . . . . 0.0 109.253 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.881 HD23 ' O ' ' A' ' 2' ' ' ALA . 1.4 mm? -133.27 -169.28 2.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.487 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.708 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -104.28 -9.37 18.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.504 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 79.89 -75.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.472 -0.768 . . . . 0.0 109.543 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.37 -20.9 63.53 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.259 -0.9 . . . . 0.0 109.56 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 45.2 m-20 -71.51 -29.86 65.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.193 -0.942 . . . . 0.0 109.506 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 6' ' ' LEU . 2.5 mt -84.61 -26.67 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.542 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -82.1 -13.38 57.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.66 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.748 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -90.94 -46.02 8.41 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.296 -0.878 . . . . 0.0 108.826 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.87 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -69.34 -40.19 77.71 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.294 -0.879 . . . . 0.0 109.951 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.048 HD11 HD21 ' A' ' 67' ' ' LEU . 5.9 mp -72.33 -35.53 68.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.254 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -69.52 -20.13 63.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.083 -1.011 . . . . 0.0 109.586 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.21 -17.01 26.74 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.45 -0.782 . . . . 0.0 109.422 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 14' ' ' ALA . 29.8 m -116.72 -10.63 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.235 -1.386 . . . . 0.0 112.925 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -36.04 -32.5 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.929 -1.107 . . . . 0.0 111.143 -178.59 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -49.05 175.75 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 109.665 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB3' HG21 ' A' ' 78' ' ' THR . 2.7 mp0 -102.9 68.78 1.02 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.173 0.987 . . . . 0.0 109.024 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.491 ' HA2' ' HG3' ' A' ' 81' ' ' GLU . . . 132.84 13.82 1.55 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.835 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 8.6 p -89.78 5.48 45.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.393 -1.063 . . . . 0.0 110.736 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CD1' HG11 ' A' ' 18' ' ' VAL . 12.1 t80 -77.06 157.7 30.95 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.655 -1.278 . . . . 0.0 110.292 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 0.4 OUTLIER -144.13 -33.68 0.4 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.589 -0.694 . . . . 0.0 109.611 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.768 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 1.2 p-80 100.68 -39.82 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.659 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 3.2 mttm -87.56 -41.66 13.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.325 -0.86 . . . . 0.0 108.854 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.807 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.38 -32.63 66.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.539 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.87 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 88.0 t80 -71.25 -65.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.199 -0.938 . . . . 0.0 109.832 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 33' ' ' VAL . 12.7 m-85 -60.37 -31.41 70.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.317 -0.865 . . . . 0.0 110.372 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -58.54 -42.94 89.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.069 -1.019 . . . . 0.0 110.126 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 28' ' ' LYS . 2.3 mt -74.66 -60.83 2.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.02 -1.05 . . . . 0.0 110.123 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 34' ' ' GLY . 5.0 p -41.78 -45.88 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.546 ' N ' HG13 ' A' ' 33' ' ' VAL . . . 107.32 39.77 1.89 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.902 HD12 ' HG2' ' A' ' 38' ' ' MET . 15.8 tp -95.95 14.29 24.07 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.051 -1.264 . . . . 0.0 108.699 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 107' ' ' HIS . 1.0 OUTLIER -90.75 4.23 52.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 110.806 -179.23 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -177.01 39.5 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.626 -1.296 . . . . 0.0 110.7 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.902 ' HG2' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -93.39 71.91 4.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.893 -1.129 . . . . 0.0 109.501 179.478 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER 51.79 90.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.424 -0.797 . . . . 0.0 110.237 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.506 ' HB1' ' OE2' ' A' ' 103' ' ' GLU . . . -38.23 -40.37 0.51 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.452 -0.78 . . . . 0.0 110.695 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -62.8 -50.76 69.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 109.154 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' HB2' ' OG ' ' A' ' 39' ' ' SER . 13.4 m-20 -67.38 -7.7 27.05 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 108.9 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.631 HG22 ' HG3' ' A' ' 38' ' ' MET . 96.1 t -86.39 -40.54 14.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.682 ' CG ' HG21 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -58.65 -28.58 65.83 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 178.551 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -74.41 -34.04 63.16 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 50' ' ' ILE . 50.1 t -65.91 -45.04 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.689 ' CG ' HD13 ' A' ' 99' ' ' ILE . 2.6 t80 -60.93 -51.54 68.86 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -40.95 -32.24 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.386 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -81.03 -42.15 21.54 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.934 HG22 HG23 ' A' ' 58' ' ' ILE . 35.1 mm -54.73 -27.0 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.121 -0.987 . . . . 0.0 109.444 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.518 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 13.6 t70 -84.54 49.91 1.79 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.85 0.833 . . . . 0.0 108.888 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . -29.37 -47.4 0.06 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.1 p30 -86.8 38.04 0.78 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.387 -1.446 . . . . 0.0 111.18 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.518 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 27.77 43.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.966 -0.458 . . . . 0.0 111.857 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 27.6 p -98.61 17.34 19.38 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.777 -1.202 . . . . 0.0 108.114 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 57.54 16.28 21.37 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 48.9 m-85 -149.0 149.18 30.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -1.128 . . . . 0.0 111.223 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.934 HG23 HG22 ' A' ' 50' ' ' ILE . 7.3 mm -88.49 108.39 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.76 160.66 17.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.921 -1.112 . . . . 0.0 110.257 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.67 ' CG ' HD22 ' A' ' 86' ' ' LEU . 1.1 mm-40 -50.41 -38.21 41.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.58 -34.05 76.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -71.96 -28.7 63.61 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.5 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 31.6 mt -68.38 -37.85 80.81 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -44.83 95.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.826 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 67' ' ' LEU . 5.6 m-85 -99.58 6.27 45.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 109.465 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.703 HG23 HG23 ' A' ' 50' ' ' ILE . 4.3 p -36.68 -27.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.507 -0.746 . . . . 0.0 111.284 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.048 HD21 HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -98.91 42.13 1.11 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.668 -1.27 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -101.12 -21.99 14.82 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 55.3 m -81.6 -19.89 40.93 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -92.97 -20.54 20.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.525 -0.734 . . . . 0.0 109.117 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.715 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -145.59 -28.76 0.44 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.282 -0.886 . . . . 0.0 110.745 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 71' ' ' ALA . . . 93.55 -38.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.36 33.34 0.57 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.26 -76.95 0.93 Allowed Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.703 ' HB2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -85.5 112.29 20.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -1.184 . . . . 0.0 110.715 -178.623 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' LEU . 2.9 m-20 -111.05 92.32 4.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 82' ' ' THR . 6.7 mt -39.06 141.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.75 0.786 . . . . 0.0 110.75 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.639 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.13 -19.46 34.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.794 -0.566 . . . . 0.0 110.327 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' A' ' 78' ' ' THR . 12.9 t0 127.26 -61.58 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.57 72.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG3' ' HA2' ' A' ' 22' ' ' GLY . 23.6 mt-10 -67.39 -29.66 69.24 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.998 0.904 . . . . 0.0 109.009 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.527 ' HA ' HD13 ' A' ' 77' ' ' LEU . 5.2 m -76.36 -25.59 54.82 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -82.42 -13.04 57.45 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -50.44 6.01 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.436 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -58.93 -45.66 89.83 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.454 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD22 ' CG ' ' A' ' 60' ' ' GLU . 49.6 tp -67.33 -37.12 82.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.537 -0.727 . . . . 0.0 110.31 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -81.87 -9.68 59.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.938 -1.101 . . . . 0.0 110.41 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.955 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -113.4 -8.23 13.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.135 -0.978 . . . . 0.0 108.625 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.78 -34.97 7.92 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.548 -0.72 . . . . 0.0 109.304 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 5.7 t0 -93.74 -168.6 1.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.249 -0.907 . . . . 0.0 109.145 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 17.6 tttt 172.51 -52.21 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 94' ' ' ASP . 25.2 p-10 -52.63 -21.5 4.02 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.177 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.28 23.81 42.72 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.426 -1.069 . . . . 0.0 110.426 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' CG ' ' OD2' ' A' ' 92' ' ' ASP . 17.5 p-10 -93.87 -26.78 16.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.986 -1.302 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.47 -12.9 59.93 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 5.0 mttp -120.48 125.71 48.57 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -1.153 . . . . 0.0 109.377 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.612 ' O ' HG12 ' A' ' 58' ' ' ILE . 2.7 mp -91.96 102.1 13.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.387 -0.821 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.43 -166.36 4.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.689 HD13 ' CG ' ' A' ' 47' ' ' PHE . 12.4 mm -70.0 -72.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.22 -1.164 . . . . 0.0 110.064 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -38.74 -39.28 0.49 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.209 -0.932 . . . . 0.0 110.187 -178.429 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -67.22 -46.06 74.96 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.689 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 106' ' ' VAL . 47.5 t80 -66.8 -57.4 7.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.722 -0.611 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 107' ' ' HIS . 43.1 tt0 -66.81 -5.98 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.761 -1.212 . . . . 0.0 110.388 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.8 m -90.65 -55.38 3.6 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.955 HD23 ' O ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -75.14 -11.35 60.06 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.351 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.569 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 51.3 t -90.02 -33.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 103' ' ' GLU . 5.7 m-70 -89.03 -15.69 33.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.245 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -107.82 27.86 8.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.505 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.445 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 1.2 pttt -67.9 -39.44 83.6 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.243 -0.911 . . . . 0.0 108.76 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.437 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 4.7 m-20 -86.41 -12.9 47.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.843 . . . . 0.0 109.148 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.82 7.72 35.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.43 -0.794 . . . . 0.0 109.422 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 11' ' ' ILE . 8.6 mt -115.95 -167.8 1.32 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 109.481 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.726 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -99.85 -6.25 27.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.642 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 79.28 -75.75 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.851 . . . . 0.0 110.099 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.61 -25.72 62.95 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -67.41 -31.9 72.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.041 -1.037 . . . . 0.0 109.265 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.635 HG22 HD13 ' A' ' 15' ' ' LEU . 3.4 mt -79.16 -21.32 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.436 -0.79 . . . . 0.0 109.258 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 4.1 mtpt -79.45 -20.71 46.77 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.258 -0.902 . . . . 0.0 109.968 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -87.08 -40.71 14.43 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.042 -1.036 . . . . 0.0 109.258 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HB1' ' CD2' ' A' ' 29' ' ' PHE . . . -67.86 -53.25 28.22 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 121.023 -1.048 . . . . 0.0 110.044 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.635 HD13 HG22 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -62.23 -34.3 76.23 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.541 -0.724 . . . . 0.0 110.021 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 18.2 m-20 -70.42 -19.96 62.95 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.92 -1.112 . . . . 0.0 109.73 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.22 -21.95 20.86 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.334 -0.854 . . . . 0.0 109.628 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 20' ' ' ALA . 16.7 m -109.06 -15.89 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.503 -1.279 . . . . 0.0 112.29 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.2 mttt -32.8 -31.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.336 -0.853 . . . . 0.0 111.699 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB3' ' CB ' ' A' ' 23' ' ' SER . . . -47.06 173.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.985 -1.072 . . . . 0.0 109.403 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -99.73 69.26 1.58 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.432 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.532 ' HA2' ' CG ' ' A' ' 81' ' ' GLU . . . 131.59 12.45 1.99 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.791 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 86.8 p -93.55 5.4 51.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.525 -0.986 . . . . 0.0 110.918 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 18.7 t80 -91.56 139.62 30.53 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.632 -1.293 . . . . 0.0 110.338 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.694 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 1.9 m-80 -117.7 -64.71 1.26 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.694 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 43.6 p-80 140.92 -28.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HG3' ' NE2' ' A' ' 26' ' ' HIS . 31.9 mtmt -85.28 -53.43 5.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.378 -0.826 . . . . 0.0 110.468 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -67.75 -27.66 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.024 -1.048 . . . . 0.0 109.861 -179.171 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.76 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 28.2 t80 -73.18 -63.71 1.13 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.175 -0.953 . . . . 0.0 110.004 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 44.0 m-85 -58.34 -39.34 79.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.05 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB2' ' OXT' ' A' ' 109' ' ' ALA . . . -61.76 -28.02 69.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.076 -1.015 . . . . 0.0 109.193 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 13' ' ' LYS . 2.4 mt -80.93 -63.72 1.34 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 109.562 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -43.34 -45.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 109.488 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 31.88 3.98 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.158 -1.02 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.822 HD23 HG13 ' A' ' 106' ' ' VAL . 14.5 tp -71.03 -31.0 67.36 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.814 -1.404 . . . . 0.0 109.381 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -67.86 -28.86 67.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.143 -0.973 . . . . 0.0 109.525 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 36' ' ' LYS . . . -59.42 -33.25 71.02 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.106 -0.996 . . . . 0.0 109.483 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.41 ' HG3' ' HB3' ' A' ' 42' ' ' ASP . 1.1 tpp -54.77 167.6 0.36 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.162 -0.961 . . . . 0.0 109.485 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.8 p -97.08 145.11 26.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.548 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.04 -40.92 0.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.647 -0.658 . . . . 0.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.98 -52.87 30.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.2 m-20 -67.67 -6.02 18.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.055 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 39' ' ' SER . 64.7 t -88.46 -41.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.025 ' HG3' HG21 ' A' ' 99' ' ' ILE . 4.5 ttmt -61.24 -24.03 66.07 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -80.93 -30.83 35.24 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 42' ' ' ASP . 55.9 t -70.76 -38.01 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.209 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.742 ' CD2' HD11 ' A' ' 58' ' ' ILE . 1.5 t80 -68.41 -49.99 56.09 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -44.9 -31.03 1.11 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HB1' ' OG ' ' A' ' 69' ' ' SER . . . -79.05 -40.95 29.99 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.756 HG22 HG23 ' A' ' 58' ' ' ILE . 31.2 mm -55.41 -33.83 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 121.074 -1.017 . . . . 0.0 108.459 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.508 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 25.4 t0 -60.72 83.98 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.868 0.842 . . . . 0.0 109.48 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -61.33 -49.05 78.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.911 -0.493 . . . . 0.0 111.746 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.6 p30 -88.69 29.94 0.96 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.654 -1.279 . . . . 0.0 111.216 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.508 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 40.15 41.54 0.98 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.155 -0.965 . . . . 0.0 110.812 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.483 ' O ' ' OG ' ' A' ' 55' ' ' SER . 3.9 t -112.81 34.58 4.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.892 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 39.0 36.08 0.46 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 15.6 m-85 -150.17 153.86 37.03 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.301 -1.117 . . . . 0.0 110.825 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.756 HG23 HG22 ' A' ' 50' ' ' ILE . 1.8 mm -109.11 98.37 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -88.05 172.51 9.48 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.004 -1.06 . . . . 0.0 110.434 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HG3' HD13 ' A' ' 86' ' ' LEU . 28.9 mp0 -51.05 -40.05 57.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.601 -0.687 . . . . 0.0 109.905 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 64' ' ' LYS . 3.1 tp10 -61.82 -34.54 76.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.977 -1.077 . . . . 0.0 109.54 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -63.31 -46.01 88.68 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.618 HD22 ' CG ' ' A' ' 85' ' ' PHE . 43.5 mt -50.71 -40.82 55.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.542 ' O ' HD23 ' A' ' 77' ' ' LEU . 25.3 tptt -55.75 -43.69 76.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -0.831 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 74.5 m-85 -112.12 25.81 11.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 0.0 109.394 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.535 HG13 ' CD2' ' A' ' 67' ' ' LEU . 4.1 p -45.33 -41.4 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.465 -0.772 . . . . 0.0 111.458 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.017 HD12 ' HB2' ' A' ' 75' ' ' ARG . 1.5 mt -90.44 38.11 0.93 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.564 -1.335 . . . . 0.0 109.331 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -84.13 -38.38 20.79 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.477 -0.764 . . . . 0.0 108.992 179.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.489 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 4.5 m -58.32 -27.66 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.306 -0.871 . . . . 0.0 108.965 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.56 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.3 m-30 -89.11 -27.63 20.62 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 68' ' ' LYS . . . -157.91 116.41 3.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.577 -0.702 . . . . 0.0 109.197 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.89 -38.19 1.49 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.431 -0.793 . . . . 0.0 109.096 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.454 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 10.2 t70 -142.79 61.85 1.41 Allowed 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -85.06 -86.4 0.94 Allowed Glycine 0 N--CA 1.485 1.903 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 1.017 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.7 mmm180 -91.4 111.73 23.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.991 . . . . 0.0 110.174 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 3.6 m-20 -90.24 105.22 17.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 108.792 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 82' ' ' THR . 4.0 mm? -41.1 150.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 0.0 110.397 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -95.83 -6.54 39.2 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.472 -0.767 . . . . 0.0 109.153 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.2 t0 105.9 -62.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 105.75 -1.945 . . . . 0.0 105.75 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.96 88.99 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.532 ' CG ' ' HA2' ' A' ' 22' ' ' GLY . 49.2 mt-10 -62.72 -25.63 68.27 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.866 0.841 . . . . 0.0 109.524 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.616 ' N ' HD12 ' A' ' 77' ' ' LEU . 9.0 m -84.43 -22.13 30.49 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 1.1 tmtm? -82.21 -13.62 56.82 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.43 -51.7 5.78 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.618 ' CG ' HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -51.82 -47.81 64.16 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.571 HD13 ' HG3' ' A' ' 60' ' ' GLU . 40.6 tp -60.92 -47.9 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.568 -0.708 . . . . 0.0 110.822 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 25.5 pttt -86.69 6.45 31.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.82 -1.175 . . . . 0.0 110.944 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.51 -19.77 12.0 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.852 -1.155 . . . . 0.0 108.49 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.48 ' HA ' ' HG ' ' A' ' 105' ' ' LEU . . . -110.68 -37.35 5.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.542 -0.724 . . . . 0.0 110.081 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.46 ' HA ' HD11 ' A' ' 97' ' ' ILE . 12.3 t0 -66.08 91.55 0.16 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.081 -1.012 . . . . 0.0 109.669 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -51.48 11.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.92 . . . . 0.0 109.331 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -66.43 -14.07 61.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.263 -0.898 . . . . 0.0 109.472 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.52 42.77 99.83 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -95.37 -30.13 14.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -1.154 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.0 -5.37 23.87 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -138.43 127.19 23.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.121 -1.223 . . . . 0.0 109.603 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' A' ' 101' ' ' GLU . 49.8 mm -93.73 100.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.406 -0.809 . . . . 0.0 109.781 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.56 -160.9 2.0 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 1.025 HG21 ' HG3' ' A' ' 44' ' ' LYS . 11.6 mm -72.18 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.977 -1.308 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 70.3 m-20 -37.24 -37.75 0.19 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.726 ' HB3' HG23 ' A' ' 97' ' ' ILE . 1.5 tm-20 -69.65 -47.15 64.34 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.947 ' O ' HG23 ' A' ' 106' ' ' VAL . 59.9 t80 -66.54 -56.67 9.73 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.725 -0.61 . . . . 0.0 111.049 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.498 ' CG ' HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -60.08 -18.83 49.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.65 -1.281 . . . . 0.0 109.788 -179.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -82.2 -29.18 31.58 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -90.31 -15.82 30.45 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 102' ' ' PHE . 16.7 t -84.61 -29.58 6.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.42 -0.8 . . . . 0.0 109.06 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 4.5 m80 -88.0 -32.36 18.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.791 . . . . 0.0 109.577 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.02 14.18 12.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 0.0 109.36 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' ' 30' ' ' PHE . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.424 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.515 ' HB3' ' HA ' ' A' ' 70' ' ' PHE . 10.0 ptmt -76.18 -26.58 56.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.138 -0.976 . . . . 0.0 109.12 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.448 ' OD1' ' HE2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -107.84 -10.19 15.6 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.435 -0.791 . . . . 0.0 109.447 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.966 ' CD2' HD23 ' A' ' 6' ' ' LEU . 6.9 tt -89.4 -43.24 11.03 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.853 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.966 HD23 ' CD2' ' A' ' 5' ' ' LEU . 3.4 pp -151.99 144.51 24.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.0 110.951 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.923 ' O ' HD12 ' A' ' 11' ' ' ILE . 8.9 mptt 64.51 32.97 11.33 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 121.39 -0.819 . . . . 0.0 110.356 178.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.64 68.74 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.62 -34.92 23.02 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.297 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 11.9 m-20 -65.46 -36.01 82.6 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 7' ' ' LYS . 2.8 mt -55.38 -46.39 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.61 -34.51 26.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.779 -0.576 . . . . 0.0 110.196 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -85.08 -25.45 27.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.958 -1.089 . . . . 0.0 109.583 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -73.09 -34.26 66.09 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.963 -1.086 . . . . 0.0 110.231 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD23 ' HG2' ' A' ' 75' ' ' ARG . 3.6 mt -74.89 -45.16 44.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.574 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -17.57 54.17 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.43 -0.794 . . . . 0.0 108.919 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.81 -30.18 26.75 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.61 HG21 ' HD2' ' A' ' 24' ' ' PHE . 25.6 m -132.07 29.98 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.204 -0.935 . . . . 0.0 111.678 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' LEU . 6.9 tttm -59.67 -29.54 68.13 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.518 -1.364 . . . . 0.0 111.134 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.765 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -55.84 174.07 0.12 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.897 -1.127 . . . . 0.0 109.895 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 0.9 OUTLIER -98.57 69.17 1.87 Allowed 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 122.113 0.959 . . . . 0.0 109.048 179.735 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.46 9.31 1.04 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.765 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 3.0 p -89.89 10.55 23.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -1.14 . . . . 0.0 109.95 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.61 ' HD2' HG21 ' A' ' 18' ' ' VAL . 33.9 t80 -82.21 143.24 31.52 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.084 -1.01 . . . . 0.0 110.412 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 8.2 m-20 -125.46 -30.68 3.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.524 -0.735 . . . . 0.0 109.139 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER 97.68 -39.16 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.382 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.823 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 12.1 mtpp -90.84 -37.06 13.85 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 109.131 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.677 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -77.21 -35.8 55.37 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.213 -0.929 . . . . 0.0 108.797 179.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.703 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 89.9 t80 -66.99 -60.01 3.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.475 -0.766 . . . . 0.0 109.263 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' O ' HG12 ' A' ' 33' ' ' VAL . 48.4 m-85 -66.32 -31.84 72.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.419 -0.801 . . . . 0.0 109.577 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.823 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -48.66 -50.18 34.19 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.061 -1.024 . . . . 0.0 109.225 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -74.22 -45.54 47.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 110.127 -179.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.635 HG22 ' CG ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -44.27 -49.74 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.095 -1.003 . . . . 0.0 110.136 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.544 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . 104.36 27.26 6.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.572 ' HG ' ' CG1' ' A' ' 106' ' ' VAL . 4.7 tp -101.94 19.05 19.12 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 120.852 -1.381 . . . . 0.0 109.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.575 ' CE ' ' HB2' ' A' ' 37' ' ' ALA . 3.5 ttpt -84.03 -19.05 35.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 111.204 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.575 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -133.16 29.23 4.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.443 -1.41 . . . . 0.0 110.581 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.858 ' HB3' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -65.02 157.65 27.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.883 -1.136 . . . . 0.0 108.989 179.436 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 1.004 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -64.82 117.68 7.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.986 . . . . 0.0 109.533 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.27 -28.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.631 -0.668 . . . . 0.0 111.297 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 t30 -74.06 -58.76 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.789 -1.194 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 46' ' ' VAL . 5.9 m-20 -69.34 -4.97 20.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.24 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 39' ' ' SER . 17.6 t -89.07 -43.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.607 ' HG2' HG21 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -61.22 -24.94 66.72 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -77.96 -31.45 50.86 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.653 HG22 HD21 ' A' ' 6' ' ' LEU . 39.6 t -67.26 -47.41 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.0 t80 -58.49 -52.14 66.9 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -43.6 -31.49 0.76 Allowed 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 179.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -75.12 -45.22 42.45 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.032 ' CG2' HD12 ' A' ' 58' ' ' ILE . 41.7 mm -53.71 -32.17 20.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.482 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 12.3 t0 -61.4 83.18 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.523 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.506 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . . . -44.34 -69.98 0.12 Allowed 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.532 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 55' ' ' SER . 1.9 p30 -89.55 22.15 3.12 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.978 -1.076 . . . . 0.0 111.185 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.482 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 48.59 59.96 4.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 110.761 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.7 p -116.1 36.03 4.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.68 22.17 1.74 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 49.6 m-85 -151.82 142.5 22.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -1.216 . . . . 0.0 110.638 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.032 HD12 ' CG2' ' A' ' 50' ' ' ILE . 3.6 mm -89.38 114.81 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.87 167.26 13.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.79 -1.194 . . . . 0.0 110.719 -177.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 63' ' ' LEU . 9.3 mt-10 -53.79 -36.6 62.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.713 -0.617 . . . . 0.0 109.549 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -33.82 75.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 109.745 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HG3' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -66.73 -42.74 85.79 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 60' ' ' GLU . 59.3 mt -54.7 -39.3 68.04 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.935 ' O ' HD23 ' A' ' 77' ' ' LEU . 5.7 mttt -57.32 -41.43 79.93 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 64' ' ' LYS . 26.5 m-85 -115.28 33.69 5.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.388 -0.82 . . . . 0.0 109.381 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.786 HG13 ' HG ' ' A' ' 67' ' ' LEU . 2.7 p -39.46 -32.75 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.865 . . . . 0.0 111.25 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.989 HD12 ' HB2' ' A' ' 75' ' ' ARG . 5.8 mt -103.77 44.06 1.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.577 -1.327 . . . . 0.0 109.775 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 11.3 ttpt -85.12 -40.11 17.14 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -63.69 -21.28 66.31 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.515 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 19.7 m-30 -89.51 -22.63 22.34 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -164.8 117.63 1.26 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.87 -37.55 1.32 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.331 -0.856 . . . . 0.0 109.087 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -143.88 62.22 1.36 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -88.15 -85.08 1.21 Allowed Glycine 0 N--CA 1.486 2.013 0 C-N-CA 119.955 -1.117 . . . . 0.0 110.319 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.989 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.0 mmm180 -90.96 112.77 24.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -1.094 . . . . 0.0 110.723 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.26 116.87 27.81 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 64' ' ' LYS . 3.1 mm? -62.7 151.67 37.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.983 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -97.09 -23.1 16.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.368 -0.833 . . . . 0.0 110.277 -179.298 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 10.2 t70 121.33 -62.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.55 87.72 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.621 ' HB3' HD13 ' A' ' 77' ' ' LEU . 31.4 tt0 -61.03 -36.47 79.63 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.094 0.95 . . . . 0.0 108.576 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.746 ' N ' HD12 ' A' ' 77' ' ' LEU . 21.0 m -77.84 -20.65 52.73 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -77.97 -10.89 59.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.79 -50.25 6.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' HB3' HD22 ' A' ' 63' ' ' LEU . 1.3 t80 -58.93 -47.82 83.68 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.48 -42.76 99.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.571 -0.706 . . . . 0.0 110.112 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -80.18 4.7 16.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.104 -0.997 . . . . 0.0 110.107 -179.255 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.648 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -119.82 -15.9 8.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.106 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.58 15.43 7.6 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.545 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.43 ' OD2' ' HA2' ' A' ' 93' ' ' GLY . 5.9 t70 -132.86 63.64 1.63 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.937 . . . . 0.0 109.238 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.34 -44.22 83.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.299 -0.876 . . . . 0.0 109.713 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' ' OD1' ' A' ' 94' ' ' ASP . 44.0 p-10 -63.34 -14.98 55.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.192 -0.943 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.43 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 62.07 40.06 98.43 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 96' ' ' LYS . 9.4 p-10 -96.68 -7.24 34.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -1.167 . . . . 0.0 109.771 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.446 ' C ' ' HG3' ' A' ' 96' ' ' LYS . . . 74.56 15.52 80.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HG3' ' C ' ' A' ' 95' ' ' GLY . 0.2 OUTLIER -149.33 124.64 10.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -1.169 . . . . 0.0 109.767 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.568 ' O ' HG12 ' A' ' 58' ' ' ILE . 2.8 mp -100.35 101.63 12.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 0.0 109.06 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.96 -165.42 3.97 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 9.5 mm -72.01 -72.24 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.281 -1.129 . . . . 0.0 109.762 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.505 ' C ' ' O ' ' A' ' 99' ' ' ILE . 19.8 p-10 -37.53 -36.87 0.18 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.999 -1.063 . . . . 0.0 110.619 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -73.03 -44.99 60.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.896 -1.127 . . . . 0.0 107.985 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.578 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 47.0 t80 -67.69 -52.94 31.95 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.79 -0.569 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.639 ' CG ' ' CE1' ' A' ' 107' ' ' HIS . 31.0 tt0 -70.05 -9.69 56.2 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.659 -1.276 . . . . 0.0 110.589 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 2.0 m -90.41 -56.28 3.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.628 -1.295 . . . . 0.0 108.197 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -44.19 91.62 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.973 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.572 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 95.4 t -59.43 -41.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.445 -0.784 . . . . 0.0 108.891 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.639 ' CE1' ' CG ' ' A' ' 103' ' ' GLU . 28.7 m170 -74.16 -16.77 60.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.528 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -100.39 39.87 1.31 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.426 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 70' ' ' PHE . 9.8 mtpt -89.98 -10.3 45.51 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.281 -0.887 . . . . 0.0 109.735 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.49 -23.11 65.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 42' ' ' ASP . 15.4 tp -89.34 -41.13 12.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 108.709 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.971 HD12 HD11 ' A' ' 11' ' ' ILE . 1.5 pp -146.03 137.83 25.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' CA ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -168.15 37.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.92 -1.113 . . . . 0.0 110.156 -179.63 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.536 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -147.86 -122.26 0.06 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.992 -1.067 . . . . 0.0 110.205 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -60.64 -14.33 19.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.768 -1.207 . . . . 0.0 109.643 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 22.2 m-20 -75.15 -32.09 61.21 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.304 -0.873 . . . . 0.0 109.363 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.971 HD11 HD12 ' A' ' 6' ' ' LEU . 2.5 mp -91.3 -21.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.687 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 3.3 mmtm -82.23 -22.82 35.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.828 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HB3' HD23 ' A' ' 32' ' ' LEU . 2.6 mtpt -90.67 -48.22 7.19 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.165 -0.959 . . . . 0.0 108.82 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.604 ' CB ' HG13 ' A' ' 33' ' ' VAL . . . -60.49 -46.46 90.02 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.324 -0.86 . . . . 0.0 110.21 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.762 HD21 HD21 ' A' ' 67' ' ' LEU . 3.3 mm? -67.61 -45.39 75.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 0.0 109.442 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 11.6 m-20 -63.72 -18.32 63.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.11 -0.993 . . . . 0.0 108.964 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.29 -25.83 31.2 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.559 ' CG1' ' HA ' ' A' ' 24' ' ' PHE . 9.9 m -133.63 27.14 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.116 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' LEU . 9.0 tptp -65.41 -23.25 66.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.311 -1.493 . . . . 0.0 111.089 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 23' ' ' SER . . . -64.82 172.42 2.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.066 -1.021 . . . . 0.0 110.217 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HB3' ' OG1' ' A' ' 78' ' ' THR . 3.6 mt-10 -98.59 70.63 1.94 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.098 0.951 . . . . 0.0 109.135 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.7 5.62 0.9 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 24.6 p -103.99 24.57 11.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -1.147 . . . . 0.0 109.626 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.594 ' CE1' ' N ' ' A' ' 26' ' ' HIS . 42.2 t80 -90.43 142.49 27.68 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.011 -1.056 . . . . 0.0 110.395 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 27' ' ' LYS . 6.2 t-20 -140.86 90.49 2.34 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.1 p-80 -31.26 -34.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.826 -0.547 . . . . 0.0 111.535 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.602 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.077 -1.014 . . . . 0.0 110.586 -179.094 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 7.7 mmpt? -69.95 -51.68 30.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.963 -1.086 . . . . 0.0 109.944 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 1.013 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 52.1 t80 -48.59 -65.3 0.59 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 110.097 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' HA ' HG22 ' A' ' 33' ' ' VAL . 41.8 m-85 -62.18 -35.03 77.59 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.474 -0.766 . . . . 0.0 110.285 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -60.76 -22.91 64.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.979 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 13' ' ' LYS . 1.1 tp -88.78 -60.54 1.93 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 14' ' ' ALA . 6.2 m -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.521 ' H ' HG23 ' A' ' 33' ' ' VAL . . . 144.28 -29.71 1.9 Allowed Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.57 -1.3 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.135 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -43.16 -29.85 0.41 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -1.182 . . . . 0.0 111.119 -179.316 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CE ' ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -39.02 -27.51 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.134 -0.979 . . . . 0.0 110.522 -179.035 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -177.04 65.68 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.905 -1.122 . . . . 0.0 109.683 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 tpt -87.65 -68.24 0.77 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.253 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 43' ' ' VAL . 51.5 p -172.79 113.75 0.26 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.192 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -32.98 -33.9 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.808 -0.557 . . . . 0.0 111.568 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' SER . 1.7 t30 -74.25 -58.31 3.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.79 -1.194 . . . . 0.0 110.092 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.811 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.5 m-20 -71.67 -1.85 15.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.097 -1.002 . . . . 0.0 109.689 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 39' ' ' SER . 49.2 t -92.77 -46.86 14.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.728 ' HG2' HG21 ' A' ' 99' ' ' ILE . 11.2 mtpt -64.73 -22.46 66.99 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -30.66 54.74 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.135 HG21 HD21 ' A' ' 35' ' ' LEU . 41.0 t -64.16 -48.26 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.777 ' CG ' HD13 ' A' ' 99' ' ' ILE . 1.6 t80 -60.32 -51.3 70.13 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -44.05 -27.88 0.42 Allowed 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.605 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -82.28 -42.1 19.27 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.859 HG22 HG23 ' A' ' 58' ' ' ILE . 35.4 mm -55.75 -30.05 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 56' ' ' GLY . 33.2 t0 -71.18 78.45 0.7 Allowed 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.87 0.843 . . . . 0.0 109.311 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -52.94 -50.34 64.24 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.408 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' ALA . 40.4 p30 -88.54 24.25 2.01 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.711 -1.243 . . . . 0.0 110.774 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . 36.56 54.0 1.07 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.478 -0.764 . . . . 0.0 110.908 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.4 p -118.95 39.07 3.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.114 -0.991 . . . . 0.0 108.524 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 51' ' ' ASP . . . 42.43 29.92 0.77 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 55' ' ' SER . 45.9 m-85 -150.98 147.85 27.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.974 -1.309 . . . . 0.0 111.129 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.859 HG23 HG22 ' A' ' 50' ' ' ILE . 3.8 mm -101.26 110.3 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' OE1' ' OE2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -88.8 156.31 19.04 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.879 -1.138 . . . . 0.0 109.927 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 86' ' ' LEU . 45.9 mt-10 -51.46 -35.67 40.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 0.0 109.618 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.71 84.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.25 -0.907 . . . . 0.0 110.004 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' A' ' 52' ' ' ALA . 4.4 mt-10 -66.8 -40.66 88.18 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 85' ' ' PHE . 26.7 mt -53.19 -33.55 53.17 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.46 -54.87 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.807 . . . . 0.0 109.178 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' LEU . 38.7 m-85 -90.04 14.47 12.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.089 -1.007 . . . . 0.0 108.996 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.0 p -37.46 -26.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.65 -0.656 . . . . 0.0 111.639 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.013 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -117.34 46.62 1.67 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.409 -1.432 . . . . 0.0 111.137 -178.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -98.54 -24.59 15.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.022 -1.049 . . . . 0.0 108.243 178.364 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.532 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 3.8 m -72.85 -25.86 61.26 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.731 ' CE1' HD11 ' A' ' 6' ' ' LEU . 92.9 m-85 -89.08 -20.62 24.1 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.648 ' HB3' ' HA3' ' A' ' 74' ' ' GLY . . . -170.18 125.98 0.79 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -42.45 -32.35 0.53 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.273 -0.892 . . . . 0.0 109.149 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.35 49.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.648 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -70.64 -72.84 0.84 Allowed Glycine 0 N--CA 1.488 2.105 0 N-CA-C 110.451 -1.059 . . . . 0.0 110.451 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.505 ' HB2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -87.47 -64.88 1.08 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -1.176 . . . . 0.0 110.243 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.474 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 4.9 t70 66.9 108.22 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.974 . . . . 0.0 108.875 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 81' ' ' GLU . 3.0 mm? -60.18 153.36 22.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -98.96 -7.09 27.54 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.439 -0.788 . . . . 0.0 109.732 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 34.0 t0 108.26 -61.79 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.05 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.713 ' HB2' HD13 ' A' ' 77' ' ' LEU . 45.6 mt-10 -65.6 -18.05 65.04 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.601 0.715 . . . . 0.0 110.058 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.712 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.0 m -84.69 -24.53 28.92 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -82.2 -16.62 49.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.18 -51.38 6.33 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -54.65 -46.32 73.97 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.499 0.666 . . . . 0.0 109.209 179.149 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 60' ' ' GLU . 24.1 tp -63.41 -41.19 98.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.627 -0.67 . . . . 0.0 110.559 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.468 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -69.37 -9.92 55.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.95 -1.093 . . . . 0.0 110.127 -179.227 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.539 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -114.21 -12.69 12.45 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.068 -1.02 . . . . 0.0 108.825 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' A' ' 97' ' ' ILE . . . -95.07 -21.73 18.36 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.396 -0.815 . . . . 0.0 109.277 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.5 t70 -104.56 -176.74 3.17 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.935 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 15.0 ttmm 173.74 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -68.03 -11.08 58.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.312 -0.868 . . . . 0.0 109.198 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.28 10.28 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -110.0 5.28 22.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -1.21 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.21 22.16 6.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HD2' ' CG ' ' A' ' 57' ' ' PHE . 2.0 ttmm -145.22 141.83 29.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -1.162 . . . . 0.0 109.552 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' A' ' 89' ' ' ALA . 2.5 mp -114.68 99.51 8.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.554 -0.716 . . . . 0.0 109.416 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.76 -164.47 3.4 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.132 -1.987 . . . . 0.0 108.132 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.777 HD13 ' CG ' ' A' ' 47' ' ' PHE . 11.1 mm -70.03 -77.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.015 -1.285 . . . . 0.0 110.467 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.4 t0 -39.94 -38.12 0.66 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.032 -1.042 . . . . 0.0 110.612 -177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.59 -42.62 74.2 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.229 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 1.029 ' O ' HG23 ' A' ' 106' ' ' VAL . 10.1 t80 -74.05 -54.17 8.41 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.608 -0.683 . . . . 0.0 111.523 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.779 ' OE1' HG12 ' A' ' 43' ' ' VAL . 24.0 mm-40 -69.96 -5.49 26.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.015 -1.053 . . . . 0.0 110.339 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.518 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.4 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -72.94 -32.57 65.35 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.235 -0.916 . . . . 0.0 109.259 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 102' ' ' PHE . 3.2 t -65.77 -40.55 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.363 -0.836 . . . . 0.0 109.391 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.771 ' NE2' HG11 ' A' ' 43' ' ' VAL . 40.0 m170 -72.38 -38.5 68.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.304 -0.872 . . . . 0.0 109.441 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 104' ' ' THR . 2.7 mt-10 -67.46 -18.88 65.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.365 -0.834 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.412 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.53 ' CB ' ' CE1' ' A' ' 70' ' ' PHE . . . . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -84.62 -31.71 24.1 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.584 -0.698 . . . . 0.0 109.381 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.6 -16.1 40.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tp -90.23 -40.22 12.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.159 -0.963 . . . . 0.0 110.048 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 2.6 pp -146.44 166.85 25.16 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.151 -0.968 . . . . 0.0 109.594 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.562 ' CA ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 162.96 40.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.44 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -146.11 -132.86 0.07 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.284 . . . . 0.0 111.283 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 14.5 m-20 -58.76 -15.04 10.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.967 -1.083 . . . . 0.0 110.044 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.23 -34.48 65.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.65 ' N ' HD12 ' A' ' 11' ' ' ILE . 4.8 mp -90.89 -27.18 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.14 -0.975 . . . . 0.0 109.599 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -81.19 -21.91 39.28 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.405 -0.809 . . . . 0.0 110.103 -179.507 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 2.1 mttm -90.12 -40.07 12.47 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.107 -0.996 . . . . 0.0 109.241 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.735 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -63.51 -50.28 70.2 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.038 -1.039 . . . . 0.0 110.217 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.0 mt -67.98 -43.94 77.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.931 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 8.6 m-20 -63.23 -17.43 62.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.889 -1.132 . . . . 0.0 109.119 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.25 -23.07 24.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 23' ' ' SER . 3.6 m -142.06 40.73 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 119.264 -0.975 . . . . 0.0 110.746 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 2.3 ttpt -90.19 -4.45 57.24 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.604 -1.31 . . . . 0.0 112.163 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.513 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -67.47 -172.41 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.512 -1.367 . . . . 0.0 109.921 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -98.89 67.51 1.67 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.078 0.942 . . . . 0.0 109.876 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 81' ' ' GLU . . . 134.17 8.25 2.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.783 ' O ' HG12 ' A' ' 18' ' ' VAL . 31.5 p -91.44 0.88 57.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -1.066 . . . . 0.0 111.233 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CE2' ' CG ' ' A' ' 29' ' ' PHE . 13.7 t80 -90.93 136.56 32.99 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 120.437 -1.415 . . . . 0.0 111.179 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.584 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 1.8 m-20 -120.86 -87.37 0.64 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 20.7 p-80 170.98 -28.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HG3' ' NE2' ' A' ' 26' ' ' HIS . 13.7 mtpp -84.54 -51.64 6.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.888 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HG2' ' N ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -70.06 -24.47 63.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.101 -0.999 . . . . 0.0 110.189 -178.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.735 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 94.6 t80 -76.55 -64.89 1.01 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.159 -0.963 . . . . 0.0 109.706 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.521 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 67.6 m-85 -60.86 -34.07 74.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 110.202 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 36' ' ' LYS . . . -64.88 -35.29 80.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.258 -0.901 . . . . 0.0 109.71 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -52.23 16.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.909 . . . . 0.0 109.919 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 2.0 p -51.96 -40.12 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 109.949 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 132.3 -24.78 3.93 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -36.69 -37.14 0.13 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.734 -0.862 . . . . 0.0 110.591 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -48.04 -56.47 7.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.133 -0.979 . . . . 0.0 109.885 -179.547 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.91 47.84 1.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 3.8 tpp -90.22 26.86 1.78 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.014 . . . . 0.0 109.453 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.963 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.0 p 60.56 116.87 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.297 -0.877 . . . . 0.0 109.717 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.49 -25.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.515 -0.741 . . . . 0.0 111.614 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.5 t30 -73.79 -58.26 3.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.603 -1.311 . . . . 0.0 109.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.4 m-20 -71.38 -2.59 17.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 109.24 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 39' ' ' SER . 20.8 t -91.19 -44.4 14.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HG2' HG21 ' A' ' 99' ' ' ILE . 51.7 mtpt -65.35 -20.22 66.3 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -83.1 -31.11 27.44 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 42' ' ' ASP . 53.6 t -68.46 -40.29 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.6 t80 -65.75 -50.31 65.22 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -41.93 -30.01 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.117 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -82.72 -42.74 17.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 1.034 HG22 HG23 ' A' ' 58' ' ' ILE . 41.6 mm -53.58 -27.21 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.142 -0.974 . . . . 0.0 108.969 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' A' ' 55' ' ' SER . 6.2 t70 -85.21 55.42 3.49 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 122.225 1.012 . . . . 0.0 108.488 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -29.11 -47.94 0.06 Allowed 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' SER . 38.1 p30 -87.35 39.93 0.9 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.353 -1.467 . . . . 0.0 111.201 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 29.35 35.6 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.596 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.5 m -96.6 25.6 5.03 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.585 -1.322 . . . . 0.0 108.515 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.21 23.37 1.76 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 30.9 m-85 -145.07 142.17 29.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.365 -1.079 . . . . 0.0 110.743 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.034 HG23 HG22 ' A' ' 50' ' ' ILE . 10.6 mm -89.69 106.15 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.64 157.64 18.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.879 -1.138 . . . . 0.0 110.011 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.523 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -48.83 -51.53 29.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.458 -0.776 . . . . 0.0 109.849 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -56.1 -31.79 63.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.277 -0.89 . . . . 0.0 110.32 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.636 ' CG ' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -74.08 -35.5 64.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.048 -1.033 . . . . 0.0 108.631 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 60' ' ' GLU . 28.9 mt -53.2 -44.98 68.41 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' HD13 ' A' ' 77' ' ' LEU . 9.2 tttp -60.19 -48.31 82.26 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 10.4 m-85 -90.42 37.44 0.91 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.826 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.621 HG13 ' N ' ' A' ' 67' ' ' LEU . 9.9 p -56.61 -49.62 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.621 ' N ' HG13 ' A' ' 66' ' ' VAL . 34.9 mt -81.49 8.59 9.14 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.457 -1.402 . . . . 0.0 110.062 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -53.66 -43.93 69.24 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.439 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -68.28 -28.99 67.68 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.669 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 5.7 m-30 -89.68 -0.67 57.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 70' ' ' PHE . . . 165.28 133.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.245 -0.91 . . . . 0.0 109.086 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.11 -54.26 38.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.027 . . . . 0.0 108.802 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.03 51.95 0.93 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.537 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -75.57 -69.97 1.33 Allowed Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.281 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.598 ' HB2' HD12 ' A' ' 67' ' ' LEU . 45.1 tpt85 -83.66 -75.22 0.34 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.058 -1.26 . . . . 0.0 111.135 -178.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 9.6 t0 74.08 60.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.562 HD23 ' N ' ' A' ' 82' ' ' THR . 8.0 mp -42.73 165.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.66 0.743 . . . . 0.0 110.759 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.661 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -92.46 -19.62 21.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.661 ' CB ' ' O ' ' A' ' 78' ' ' THR . 35.1 t0 121.55 -60.73 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 -177.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.43 73.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.464 ' OE2' ' NH2' ' A' ' 75' ' ' ARG . 24.2 mt-10 -62.1 -33.6 74.74 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.172 0.986 . . . . 0.0 108.852 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.562 ' N ' HD23 ' A' ' 77' ' ' LEU . 5.9 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -10.32 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -49.12 6.77 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -57.27 -47.3 81.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.341 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.523 HD13 ' CG ' ' A' ' 60' ' ' GLU . 4.7 tp -63.81 -43.95 94.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.552 -0.717 . . . . 0.0 110.292 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.75 1.71 16.45 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.064 -1.022 . . . . 0.0 110.345 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' O ' HD21 ' A' ' 105' ' ' LEU . . . -120.95 -13.38 8.62 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 108.857 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.09 9.46 11.17 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.421 -0.8 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 94' ' ' ASP . 25.0 t0 -126.94 73.29 1.4 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 0.2 OUTLIER -74.3 -23.67 59.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.29 -0.882 . . . . 0.0 109.611 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 34.4 p30 -85.53 -5.62 59.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 109.564 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.439 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 57.47 48.13 83.15 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 96' ' ' LYS . 22.0 p-10 -120.68 16.93 11.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -1.151 . . . . 0.0 109.732 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 86' ' ' LEU . . . 47.18 31.13 5.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.497 ' HD2' ' CG ' ' A' ' 57' ' ' PHE . 7.1 ttpp -148.0 135.64 20.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -1.092 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.552 ' O ' HG12 ' A' ' 58' ' ' ILE . 3.2 mp -122.97 99.31 6.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.406 -0.809 . . . . 0.0 109.258 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.61 -164.32 6.38 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.772 HG21 ' HG2' ' A' ' 44' ' ' LYS . 5.7 mm -73.91 -71.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.188 -1.183 . . . . 0.0 109.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 99' ' ' ILE . 1.4 p30 -37.23 -35.86 0.12 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.914 -1.116 . . . . 0.0 110.613 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -73.15 -46.0 53.48 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CE2' HG21 ' A' ' 106' ' ' VAL . 47.9 t80 -68.76 -54.16 17.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.64 -0.663 . . . . 0.0 110.478 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 9.8 pt-20 -64.6 -11.48 35.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.759 -1.213 . . . . 0.0 110.627 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -85.98 -49.93 7.46 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.576 HD23 ' CD2' ' A' ' 26' ' ' HIS . 4.6 tp -69.72 -55.2 10.59 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.727 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' A' ' 102' ' ' PHE . 99.8 t -49.69 -37.73 12.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.726 -0.608 . . . . 0.0 109.706 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 7.6 m170 -70.48 -41.07 73.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.096 -1.003 . . . . 0.0 109.631 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -89.39 33.66 0.82 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 0.0 109.506 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.477 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.437 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.406 ' HB1' ' CZ ' ' A' ' 70' ' ' PHE . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 2.4 ptpt -90.05 -30.54 17.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.302 -0.874 . . . . 0.0 109.309 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.511 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 51.7 m-20 -87.76 -6.72 58.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.262 -0.898 . . . . 0.0 109.538 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.8 tt -91.81 5.23 50.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.155 -0.965 . . . . 0.0 109.681 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.487 ' CB ' HD11 ' A' ' 11' ' ' ILE . 3.7 mp -129.56 -166.87 1.72 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.522 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.72 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.9 mptp? -100.86 -4.19 28.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 83.95 -45.59 0.1 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.334 0.588 . . . . 0.0 109.766 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.58 -32.88 74.71 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.325 -0.859 . . . . 0.0 109.723 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 5.5 m-20 -69.01 -28.64 66.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.957 -1.089 . . . . 0.0 108.642 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.9 mp -80.18 -19.22 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 0.0 109.089 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -87.57 -13.51 42.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.811 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -90.55 -50.92 5.66 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.058 -1.026 . . . . 0.0 108.356 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.623 ' HB1' ' CD2' ' A' ' 29' ' ' PHE . . . -64.01 -34.85 78.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.274 -0.891 . . . . 0.0 110.124 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -77.29 -33.41 55.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.547 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 3.5 m-20 -74.88 -20.58 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.309 -0.87 . . . . 0.0 110.189 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.08 -20.7 21.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.074 -1.016 . . . . 0.0 109.496 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 14' ' ' ALA . 33.3 m -108.57 -20.61 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.827 -1.17 . . . . 0.0 111.861 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -31.02 -31.66 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.742 -0.599 . . . . 0.0 112.022 -178.07 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.827 ' HB3' ' HB3' ' A' ' 23' ' ' SER . . . -47.9 170.8 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.738 -1.227 . . . . 0.0 109.136 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -97.59 71.07 2.27 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.144 -1.022 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.1 16.32 1.77 Allowed Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.827 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 3.4 p -111.03 26.1 11.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.51 -0.994 . . . . 0.0 110.094 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 18.1 t80 -90.67 146.73 23.78 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.628 -1.295 . . . . 0.0 109.589 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.576 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -139.11 131.66 28.75 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.606 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 16.9 p-80 -68.52 -33.03 73.42 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.241 . . . . 0.0 108.887 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -78.15 -50.73 11.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.486 -0.759 . . . . 0.0 110.575 -179.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.67 -48.76 71.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.086 -1.009 . . . . 0.0 110.023 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 38.6 t80 -54.08 -70.27 0.1 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.459 -0.775 . . . . 0.0 110.269 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -56.55 -32.65 65.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -56.72 -53.58 56.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.997 . . . . 0.0 109.488 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -37.02 85.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' PHE . 71.7 t -47.08 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 144.87 -35.88 1.46 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.775 ' CD2' HG11 ' A' ' 46' ' ' VAL . 32.2 tp -40.96 -27.08 0.05 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.535 -0.98 . . . . 0.0 110.399 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -43.52 -63.74 0.78 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.129 -0.982 . . . . 0.0 110.093 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.06 45.41 0.96 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.502 ' HB2' ' HA ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -80.61 -69.73 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.022 -1.049 . . . . 0.0 109.374 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.882 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.2 p 175.46 112.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.271 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.81 -30.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.747 -0.596 . . . . 0.0 111.434 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.9 t30 -76.62 -59.07 2.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.816 -1.178 . . . . 0.0 109.969 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.468 ' HB2' ' OG ' ' A' ' 39' ' ' SER . 51.6 m-20 -70.31 -3.1 15.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.035 -1.041 . . . . 0.0 109.637 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 39' ' ' SER . 44.4 t -90.55 -43.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -61.63 -23.98 66.41 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -78.27 -32.09 49.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.775 HG11 ' CD2' ' A' ' 35' ' ' LEU . 25.6 t -64.43 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -64.42 -50.47 67.46 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -42.46 -28.72 0.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.21 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -86.47 -40.39 15.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.433 -0.792 . . . . 0.0 109.196 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.891 HG22 HG23 ' A' ' 58' ' ' ILE . 42.2 mm -51.16 -36.74 16.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.78 66.42 9.62 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 53.31 0.83 Allowed 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.794 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -150.89 -90.2 0.06 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 178.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 169.05 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.198 -0.939 . . . . 0.0 111.366 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.615 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 91.4 p -146.24 33.22 0.99 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.722 -1.236 . . . . 0.0 109.515 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 30.5 36.52 0.02 OUTLIER Glycine 0 N--CA 1.5 2.924 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.3 m-85 -149.8 144.17 25.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -1.186 . . . . 0.0 110.687 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.891 HG23 HG22 ' A' ' 50' ' ' ILE . 9.3 mm -90.21 107.08 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.68 162.51 16.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.823 -1.173 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.95 -37.43 20.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.498 -0.752 . . . . 0.0 109.747 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 5.9 pt-20 -64.12 -36.4 83.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 110.357 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 66' ' ' VAL . 57.8 mm-40 -71.62 -29.03 64.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.054 -1.029 . . . . 0.0 108.241 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 63' ' ' LEU . 20.1 mt -65.68 -34.88 79.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.759 ' O ' HD23 ' A' ' 77' ' ' LEU . 35.4 tttp -68.15 -49.13 62.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.239 -0.913 . . . . 0.0 109.361 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.8 m-85 -98.24 12.78 33.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.235 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 p -37.91 -27.22 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.72 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.59 42.17 1.13 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.712 -1.242 . . . . 0.0 109.403 -179.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HG3' ' HA ' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -100.24 -27.11 13.67 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 m -78.23 -24.89 46.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 19.1 m-85 -90.65 -11.55 39.49 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB3' ' HA3' ' A' ' 74' ' ' GLY . . . -178.77 111.79 0.06 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -39.35 -38.08 0.51 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.421 -0.8 . . . . 0.0 109.663 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -138.01 58.47 1.68 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -88.69 -88.44 1.19 Allowed Glycine 0 N--CA 1.484 1.864 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 81' ' ' GLU . 27.9 tpt85 -91.63 112.16 23.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.525 -0.985 . . . . 0.0 110.18 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.49 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 30.2 t70 -96.46 112.55 24.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 64' ' ' LYS . 2.6 mm? -54.86 142.64 28.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.757 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.657 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -91.72 -20.87 21.1 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.893 . . . . 0.0 110.147 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.657 ' CB ' ' O ' ' A' ' 78' ' ' THR . 17.3 t70 124.97 -61.62 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.17 84.05 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.574 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . 51.1 mt-10 -64.04 -25.24 68.02 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.924 0.868 . . . . 0.0 109.522 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.698 ' N ' HD12 ' A' ' 77' ' ' LEU . 10.2 m -84.6 -23.17 29.7 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -80.49 -12.2 59.57 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.64 -50.41 6.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CG ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -57.13 -47.09 81.97 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.327 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.04 -40.67 91.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.478 -0.764 . . . . 0.0 110.266 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -78.33 2.81 17.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.103 -0.998 . . . . 0.0 110.194 -179.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.519 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -120.24 -17.38 8.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.135 -0.978 . . . . 0.0 108.994 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB1' HG12 ' A' ' 97' ' ' ILE . . . -100.53 -24.41 14.47 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.338 -0.851 . . . . 0.0 109.791 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.6 t70 -93.92 179.01 5.48 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.069 -1.02 . . . . 0.0 109.468 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 176.08 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.659 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 92' ' ' ASP . 35.5 p-10 -63.51 -11.6 25.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.903 . . . . 0.0 109.5 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.14 27.13 45.99 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -95.53 -12.12 26.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.225 -1.162 . . . . 0.0 110.025 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.31 23.82 68.57 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -147.21 133.84 19.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -1.104 . . . . 0.0 109.072 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.703 HG12 ' HB1' ' A' ' 89' ' ' ALA . 4.3 mp -107.65 97.16 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.68 -157.77 1.76 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.7 mm -74.34 -74.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.98 -1.306 . . . . 0.0 110.006 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -39.11 -35.6 0.24 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.918 -1.114 . . . . 0.0 110.358 -178.349 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.03 -44.79 62.83 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.75 ' O ' HG23 ' A' ' 106' ' ' VAL . 60.1 t80 -71.23 -54.61 10.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.644 -0.66 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 100' ' ' ASP . 10.9 pt-20 -59.31 -23.02 62.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.776 -1.202 . . . . 0.0 109.679 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.521 ' O ' ' CG ' ' A' ' 108' ' ' GLU . 1.3 m -79.8 -29.07 40.19 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.519 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 1.9 mm? -79.34 -33.91 42.62 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 102' ' ' PHE . 1.4 t -76.51 -44.64 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.703 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 6.5 m80 -60.29 -33.69 72.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.102 -0.999 . . . . 0.0 108.885 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 104' ' ' THR . 6.1 mm-40 -77.36 -35.64 54.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.366 -0.833 . . . . 0.0 109.352 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.418 ' OXT' ' HG3' ' A' ' 36' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.422 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.534 ' O ' HD23 ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -90.28 -29.58 18.05 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.257 -0.902 . . . . 0.0 109.465 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.1 -15.39 62.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.577 ' C ' HD22 ' A' ' 6' ' ' LEU . 2.4 tt -94.41 7.71 44.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.577 HD22 ' C ' ' A' ' 5' ' ' LEU . 4.0 mm? -117.49 -171.19 2.0 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.222 -0.924 . . . . 0.0 109.618 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -104.51 0.76 29.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.681 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 84.4 -60.55 0.1 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 0.0 109.424 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 64.7 m-20 -61.58 -23.93 66.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.48 -0.762 . . . . 0.0 109.545 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 5.1 m-20 -72.53 -27.54 62.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.045 -1.034 . . . . 0.0 108.96 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' ALA . 5.1 mt -79.67 -29.2 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.296 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 15.1 ptpt -86.22 -8.67 57.61 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 109.735 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.511 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -67.12 -49.29 65.39 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.355 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.72 HD22 ' CE1' ' A' ' 29' ' ' PHE . 3.2 mm? -60.78 -34.84 75.09 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.451 -0.781 . . . . 0.0 109.232 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 6.5 m-20 -70.92 -20.97 62.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.139 -0.975 . . . . 0.0 109.899 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.98 -22.19 20.94 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.254 -0.904 . . . . 0.0 109.62 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 24' ' ' PHE . 33.2 m -103.4 -23.32 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 118.782 -1.167 . . . . 0.0 112.058 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HA ' ' HD2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -33.61 -29.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.613 -0.68 . . . . 0.0 111.601 -178.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.966 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -48.58 174.7 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.89 -1.131 . . . . 0.0 109.104 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -97.95 70.24 2.12 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.86 18.14 2.68 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.966 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 93.1 p -101.95 14.66 31.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.531 -0.982 . . . . 0.0 111.049 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.57 ' HA ' HG12 ' A' ' 18' ' ' VAL . 34.0 t80 -81.59 134.37 35.49 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.531 -1.356 . . . . 0.0 109.858 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -133.85 99.61 4.5 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.911 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 19.7 p-80 -37.05 -29.43 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 110.669 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.652 ' O ' ' HB1' ' A' ' 109' ' ' ALA . 2.9 mtpm? -76.86 -56.64 4.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.21 -0.931 . . . . 0.0 110.892 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 6.2 mmpt? -66.82 -49.71 64.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.112 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.72 ' CE1' HD22 ' A' ' 15' ' ' LEU . 72.0 t80 -48.7 -63.89 0.96 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 110.228 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.96 -32.67 74.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.465 -0.772 . . . . 0.0 110.794 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -34.98 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.134 -0.979 . . . . 0.0 109.873 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mt -80.42 -52.62 7.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 0.0 110.414 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.605 HG13 ' H ' ' A' ' 35' ' ' LEU . 1.6 p -47.32 -42.69 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.005 -1.059 . . . . 0.0 110.305 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 130.73 -23.51 4.45 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.543 -1.348 . . . . 0.0 110.104 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -42.55 -31.1 0.4 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -1.148 . . . . 0.0 110.17 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.61 -50.84 71.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 110.025 -179.39 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.44 23.55 8.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 110.769 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -176.87 2.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.133 . . . . 0.0 109.177 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 43' ' ' VAL . 86.5 p -97.92 122.13 40.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.43 -29.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.708 -0.62 . . . . 0.0 111.394 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -73.01 -56.79 4.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.738 -1.226 . . . . 0.0 108.031 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.853 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.69 0.74 9.9 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.965 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.908 HG21 ' CE1' ' A' ' 107' ' ' HIS . 58.8 t -92.34 -47.33 14.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' CD ' HG21 ' A' ' 99' ' ' ILE . 8.4 mtmm -65.44 -21.82 66.7 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.32 -1.734 . . . . 0.0 106.32 177.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.5 -31.58 37.18 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 42' ' ' ASP . 33.1 t -66.04 -38.53 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.4 t80 -65.92 -51.69 56.41 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.067 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.492 ' HE3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -44.88 -29.09 0.74 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.404 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -81.4 -41.98 21.1 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.919 HG22 HG23 ' A' ' 58' ' ' ILE . 44.4 mm -50.71 -32.78 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 57' ' ' PHE . 16.3 t70 -79.43 74.81 6.04 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.52 50.61 0.82 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.035 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -151.54 -94.53 0.06 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 173.98 56.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 110.644 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.0 p -147.32 35.14 0.88 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.034 -1.041 . . . . 0.0 109.21 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 31.91 35.56 0.02 OUTLIER Glycine 0 N--CA 1.498 2.789 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 m-85 -148.11 148.97 31.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -1.141 . . . . 0.0 110.754 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.919 HG23 HG22 ' A' ' 50' ' ' ILE . 7.9 mm -89.79 111.53 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.59 153.45 21.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.908 -1.12 . . . . 0.0 109.781 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.4 mt-10 -51.88 -47.08 64.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 0.0 109.805 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.23 -29.07 68.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 110.248 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 21.8 mm-40 -75.16 -35.96 61.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 108.619 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.583 ' O ' HG12 ' A' ' 66' ' ' VAL . 37.1 mt -55.43 -40.75 71.92 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.251 0.548 . . . . 0.0 109.962 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -49.09 59.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.038 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -89.34 21.72 3.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.572 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 63' ' ' LEU . 6.7 p -78.72 22.89 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.088 -1.007 . . . . 0.0 111.194 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 75' ' ' ARG . 68.0 mt -122.27 16.92 10.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.497 -1.377 . . . . 0.0 109.854 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -32.65 18.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 108.737 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.4 m -85.39 -23.07 28.1 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.418 ' O ' HG21 ' A' ' 11' ' ' ILE . 5.9 m-85 -99.24 -19.55 17.04 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 67' ' ' LEU . . . -144.83 119.04 9.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.58 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.862 . . . . 0.0 111.057 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -89.55 -32.52 17.11 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.767 -1.208 . . . . 0.0 109.983 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.18 79.5 0.53 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.543 ' HB3' HD13 ' A' ' 67' ' ' LEU . 2.7 ttp85 -57.82 90.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -1.048 . . . . 0.0 110.009 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -48.07 128.86 14.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.981 -1.074 . . . . 0.0 108.855 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 82' ' ' THR . 5.8 mp -65.35 176.53 1.36 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.2 m -95.38 -6.32 41.27 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.315 -0.866 . . . . 0.0 109.671 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.9 t0 105.02 -61.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.14 73.85 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.593 ' C ' HD23 ' A' ' 77' ' ' LEU . 84.2 mt-10 -63.54 -31.5 72.68 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.975 0.893 . . . . 0.0 109.063 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.627 ' N ' HD23 ' A' ' 77' ' ' LEU . 4.4 m -78.83 -25.46 44.12 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -84.58 -6.98 59.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.4 -47.51 7.69 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -49.34 72.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.92 -41.51 95.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.472 -0.768 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -79.62 6.01 11.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.871 -1.143 . . . . 0.0 110.291 -179.271 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.911 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -116.67 -23.07 8.33 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.967 -1.083 . . . . 0.0 108.804 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 97' ' ' ILE . . . -119.79 14.16 12.48 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.464 -0.773 . . . . 0.0 109.385 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.513 ' HB2' HD11 ' A' ' 97' ' ' ILE . 10.1 t0 -138.74 83.2 1.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.33 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.13 59.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 0.0 109.683 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 94' ' ' ASP . 2.6 p30 -76.54 -12.21 59.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.628 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.05 59.13 10.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.482 ' OD2' ' HB2' ' A' ' 96' ' ' LYS . 15.6 p-10 -112.86 10.28 19.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -1.186 . . . . 0.0 109.898 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.455 ' HA3' ' OE2' ' A' ' 60' ' ' GLU . . . 56.63 27.23 54.58 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.482 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 9.6 mttt -150.33 115.64 5.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.017 -1.284 . . . . 0.0 109.532 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 89' ' ' ALA . 22.7 mm -99.25 105.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.466 -0.771 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.64 -169.73 33.6 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 13.0 mm -69.32 -73.56 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.201 -1.176 . . . . 0.0 110.495 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.8 m-20 -37.83 -38.49 0.3 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.038 -1.039 . . . . 0.0 110.558 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -46.81 70.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.932 -1.105 . . . . 0.0 108.022 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 36.7 t80 -68.05 -55.8 11.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.819 -0.551 . . . . 0.0 111.492 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.552 ' HG3' ' ND1' ' A' ' 107' ' ' HIS . 27.1 tt0 -66.64 -8.5 27.9 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.572 -1.33 . . . . 0.0 110.195 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.557 HG22 HD22 ' A' ' 105' ' ' LEU . 2.6 m -90.69 -49.51 6.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.139 -0.976 . . . . 0.0 108.582 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.557 HD22 HG22 ' A' ' 104' ' ' THR . 3.6 mm? -80.5 -12.58 59.52 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.238 -0.914 . . . . 0.0 109.936 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 102' ' ' PHE . 60.8 t -90.28 -35.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.246 -0.909 . . . . 0.0 109.22 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.908 ' CE1' HG21 ' A' ' 43' ' ' VAL . 12.5 m170 -81.58 -32.7 32.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.336 -0.853 . . . . 0.0 109.404 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.414 ' O ' ' OXT' ' A' ' 109' ' ' ALA . 7.1 mm-40 -94.94 37.74 1.14 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.233 -0.917 . . . . 0.0 109.476 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.471 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -75.71 -34.37 60.36 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.322 -0.861 . . . . 0.0 108.946 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -88.61 -2.93 58.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.437 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -100.11 8.51 43.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' CB ' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -130.13 -167.74 1.86 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.75 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.722 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 tttm -86.46 -12.34 49.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 0.0 109.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 84.15 -62.85 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.437 0.637 . . . . 0.0 109.737 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.92 -32.24 73.49 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.386 -0.821 . . . . 0.0 110.026 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.503 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 40.4 m-20 -63.93 -33.42 75.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.925 -1.11 . . . . 0.0 108.97 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.625 HG21 ' HB3' ' A' ' 70' ' ' PHE . 3.9 mt -74.43 -31.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 1.2 mttp -75.99 -8.7 57.56 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 0.0 109.146 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -45.7 11.2 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.858 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -70.1 -48.5 57.39 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.298 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.624 HD13 HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -59.3 -32.05 69.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.064 179.383 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 21.3 m-20 -77.04 -23.56 52.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 110.118 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -17.59 25.44 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.981 -1.075 . . . . 0.0 109.383 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 14' ' ' ALA . 31.4 m -110.53 -20.95 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.871 -1.143 . . . . 0.0 111.32 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -35.74 -28.38 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.388 -0.82 . . . . 0.0 111.178 -178.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.941 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -45.56 173.33 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.09 -1.006 . . . . 0.0 109.854 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.66 70.47 3.02 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.325 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.91 15.02 3.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.941 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 88.8 p -98.53 9.6 42.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.491 -1.005 . . . . 0.0 111.24 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 20.5 t80 -92.19 134.99 34.35 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.469 -1.394 . . . . 0.0 110.097 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -116.22 -91.32 0.53 Allowed 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.112 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.593 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 16.7 p-80 173.01 -31.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.691 ' CG ' ' HB1' ' A' ' 109' ' ' ALA . 3.6 mtmp? -82.69 -51.29 7.86 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.388 -0.82 . . . . 0.0 110.313 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.69 -31.89 71.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.944 -179.002 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 80.9 t80 -68.59 -68.15 0.42 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.097 -1.002 . . . . 0.0 109.478 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.43 ' HE2' ' CE2' ' A' ' 85' ' ' PHE . 29.1 m-85 -53.26 -29.93 35.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 110.248 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.94 64.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.766 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.3 mt -74.44 -1.9 23.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.964 . . . . 0.0 110.353 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 29' ' ' PHE . 89.7 t -84.13 -61.37 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.868 -1.145 . . . . 0.0 109.887 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.75 -35.03 1.12 Allowed Glycine 0 N--CA 1.49 2.234 0 C-N-CA 119.56 -1.305 . . . . 0.0 109.949 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.799 ' H ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -61.6 -9.79 6.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.041 -1.27 . . . . 0.0 110.637 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.5 -22.15 7.58 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.904 -1.123 . . . . 0.0 109.197 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.57 58.84 0.27 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 0.0 109.641 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.424 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -88.1 -64.71 1.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 109.299 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.85 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.2 p 170.37 122.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 109.547 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.13 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.715 -0.616 . . . . 0.0 111.146 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.0 t30 -75.6 -52.03 11.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.947 -1.096 . . . . 0.0 109.549 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.825 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 m-20 -74.22 -0.79 17.98 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.186 -0.946 . . . . 0.0 109.087 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 39' ' ' SER . 48.8 t -92.06 -45.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -63.99 -21.77 66.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 177.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.54 -29.87 37.15 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 42' ' ' ASP . 62.4 t -70.44 -47.5 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.719 ' CG ' HD13 ' A' ' 99' ' ' ILE . 2.2 t80 -60.55 -50.86 71.87 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -47.58 -28.58 2.36 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -80.4 -38.7 29.78 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.71 HD12 HG23 ' A' ' 66' ' ' VAL . 25.4 mm -58.87 -32.12 46.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.542 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 27.4 t0 -51.49 85.99 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.874 0.845 . . . . 0.0 109.111 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -66.98 -54.46 21.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.909 -0.495 . . . . 0.0 111.671 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.48 ' OD2' ' OE1' ' A' ' 59' ' ' GLU . 2.2 p30 -89.0 26.89 1.45 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.67 -1.269 . . . . 0.0 110.64 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.542 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 48.01 35.91 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.273 -0.892 . . . . 0.0 111.425 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -107.94 30.13 6.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.572 -1.33 . . . . 0.0 108.804 179.141 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 41.53 37.73 1.92 Allowed Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.7 m-85 -150.47 145.76 26.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -1.084 . . . . 0.0 110.023 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.671 HG23 HG22 ' A' ' 50' ' ' ILE . 1.8 mm -101.06 96.25 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' OE1' ' OD2' ' A' ' 53' ' ' ASP . 3.3 mt-10 -89.54 171.74 9.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.167 -0.958 . . . . 0.0 110.531 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.813 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -54.45 -41.2 69.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.669 -0.645 . . . . 0.0 110.336 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -62.82 -27.94 69.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.069 -1.019 . . . . 0.0 109.967 -179.409 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.505 ' OE1' ' HA ' ' A' ' 58' ' ' ILE . 15.6 mt-10 -76.2 -46.79 26.7 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.966 ' O ' HG12 ' A' ' 66' ' ' VAL . 88.8 mt -44.66 -43.14 8.09 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HB2' ' OG1' ' A' ' 82' ' ' THR . 16.0 tttt -69.99 -38.82 76.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 108.856 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -94.9 20.25 9.12 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.311 -0.868 . . . . 0.0 109.619 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 63' ' ' LEU . 10.0 p -86.26 44.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 0.0 108.558 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -132.78 -56.44 0.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.648 -0.657 . . . . 0.0 109.874 -179.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -34.64 -32.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.504 -0.747 . . . . 0.0 110.967 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -43.23 -51.17 6.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.151 -0.968 . . . . 0.0 109.591 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.625 ' HB3' HG21 ' A' ' 11' ' ' ILE . 5.8 m-85 -88.04 -31.04 19.5 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' A' ' 68' ' ' LYS . . . -145.57 103.86 3.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.73 -1.231 . . . . 0.0 110.648 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.613 ' O ' ' HG3' ' A' ' 68' ' ' LYS . . . -39.59 -35.14 0.28 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.395 -0.816 . . . . 0.0 110.418 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -139.15 58.3 1.64 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.56 -90.88 1.4 Allowed Glycine 0 N--CA 1.479 1.562 0 C-N-CA 120.091 -1.052 . . . . 0.0 110.643 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -92.32 -68.58 0.79 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.478 -1.013 . . . . 0.0 111.302 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 33.3 t0 80.04 95.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 63' ' ' LEU . 24.6 mt -66.82 157.3 33.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 110.729 -178.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.528 HG23 ' OE1' ' A' ' 81' ' ' GLU . 1.3 p -104.77 173.2 6.41 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.5 -46.39 38.25 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 121.513 -0.742 . . . . 0.0 110.507 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.56 85.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.932 -1.105 . . . . 0.0 109.381 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.528 ' OE1' HG23 ' A' ' 78' ' ' THR . 8.9 mt-10 -57.19 -30.34 64.45 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.101 0.953 . . . . 0.0 109.948 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.459 ' OG1' ' HB2' ' A' ' 64' ' ' LYS . 10.1 m -86.63 -22.33 26.24 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.334 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -77.65 -14.1 59.72 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.52 6.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.194 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.813 HD13 ' CG ' ' A' ' 60' ' ' GLU . 21.2 tp -64.29 -46.06 85.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.655 -0.653 . . . . 0.0 111.196 -178.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.483 ' CD ' ' O ' ' A' ' 83' ' ' LYS . 20.7 ptmt -78.8 -12.32 60.02 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.82 -1.175 . . . . 0.0 111.015 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -109.85 -6.39 15.25 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.847 -1.158 . . . . 0.0 108.85 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -101.11 -31.07 11.23 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.344 -0.848 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 92' ' ' ASP . 3.3 t0 -98.9 118.53 35.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.118 -0.989 . . . . 0.0 109.137 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -79.12 -44.52 21.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.129 -0.982 . . . . 0.0 109.656 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 90' ' ' ASP . 43.6 p-10 -92.02 3.71 54.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.302 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.31 56.02 11.59 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.491 ' OD2' ' HG2' ' A' ' 96' ' ' LYS . 7.9 p-10 -89.09 -28.84 19.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.343 -1.092 . . . . 0.0 109.193 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.26 -5.45 13.33 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.86 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.491 ' HG2' ' OD2' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -149.99 137.24 19.68 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.698 -1.472 . . . . 0.0 110.774 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.561 ' O ' HG12 ' A' ' 58' ' ' ILE . 36.2 mm -102.73 100.19 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.17 -168.07 5.53 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.719 HD13 ' CG ' ' A' ' 47' ' ' PHE . 6.9 mm -71.38 -69.29 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.241 -1.152 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 99' ' ' ILE . 12.8 t0 -39.15 -35.72 0.26 Allowed 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.899 -1.126 . . . . 0.0 110.713 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.403 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -75.82 -41.55 52.35 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.802 -1.186 . . . . 0.0 108.057 178.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 106' ' ' VAL . 38.0 t80 -70.35 -54.1 13.9 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.564 -0.71 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -59.91 -27.98 67.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.334 -1.479 . . . . 0.0 109.25 -179.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 2.3 m -79.57 -24.65 41.93 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' VAL . 2.3 tt -82.66 -66.59 0.87 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.637 HG12 HD23 ' A' ' 35' ' ' LEU . 2.7 t -40.78 -41.6 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.632 -0.667 . . . . 0.0 109.415 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.23 -71.06 0.21 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.28 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.72 -70.7 0.11 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 109.321 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.691 ' HB1' ' CG ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.424 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.487 ' O ' ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.558 ' CG ' ' HG2' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -75.25 -16.7 60.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.533 -0.729 . . . . 0.0 110.267 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -80.79 -25.51 37.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.053 -1.029 . . . . 0.0 111.081 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.615 ' HB3' HD23 ' A' ' 6' ' ' LEU . 14.9 tp -89.04 -45.06 9.93 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.888 -1.132 . . . . 0.0 109.105 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.676 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 1.5 pt? -153.08 -164.22 1.88 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.396 -0.815 . . . . 0.0 109.274 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.676 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 1.9 mptt 133.21 58.23 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 123.287 0.635 . . . . 0.0 109.657 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.417 ' H ' HD13 ' A' ' 11' ' ' ILE . . . -147.87 -110.24 0.08 Allowed 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.08 -1.013 . . . . 0.0 110.424 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.43 -22.92 66.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.848 -1.158 . . . . 0.0 110.19 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.466 ' C ' HD12 ' A' ' 11' ' ' ILE . 12.5 m-20 -75.39 -27.72 59.2 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.977 -1.077 . . . . 0.0 109.191 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.805 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.5 mp -91.15 -15.17 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.435 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 2.1 mmtp -81.64 -29.29 33.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -87.51 -42.15 12.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.232 -0.917 . . . . 0.0 108.617 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.76 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -64.73 -54.19 35.35 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.295 -0.878 . . . . 0.0 110.236 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 67' ' ' LEU . 12.5 mt -60.86 -40.73 94.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.63 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 16.9 m-20 -65.03 -21.18 66.8 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 108.876 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.26 -19.11 30.42 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.584 ' CG1' ' HA ' ' A' ' 24' ' ' PHE . 27.7 m -139.55 37.06 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.341 -0.849 . . . . 0.0 111.281 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -82.37 -11.83 58.33 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.341 -1.475 . . . . 0.0 111.673 -178.438 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.683 ' HB3' ' CB ' ' A' ' 23' ' ' SER . . . -70.13 176.39 3.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.703 -1.248 . . . . 0.0 110.172 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -95.81 71.69 3.01 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.186 0.993 . . . . 0.0 109.017 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.544 ' HA2' ' CG ' ' A' ' 81' ' ' GLU . . . 130.8 17.05 1.55 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 108.982 -1.647 . . . . 0.0 108.982 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.683 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 88.9 p -108.9 27.31 9.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.516 -0.991 . . . . 0.0 110.193 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.584 ' HA ' ' CG1' ' A' ' 18' ' ' VAL . 28.1 t80 -89.31 143.77 26.58 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 120.666 -1.271 . . . . 0.0 110.928 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.541 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 59.1 m-80 -135.89 121.5 19.55 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 16.1 p-80 -64.26 -29.53 70.62 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.706 -1.246 . . . . 0.0 110.083 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.848 ' HA ' ' HB1' ' A' ' 109' ' ' ALA . 7.9 mtpt -80.65 -56.71 3.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 111.315 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -67.48 -41.88 83.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.879 -1.138 . . . . 0.0 109.799 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.76 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 75.5 t80 -55.64 -62.59 1.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.432 -0.793 . . . . 0.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -64.34 -37.04 86.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 0.0 110.39 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.98 -42.69 63.15 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.104 -0.997 . . . . 0.0 108.684 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' VAL . 12.7 mt -72.23 -51.06 22.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.48 -0.763 . . . . 0.0 109.482 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 29' ' ' PHE . 60.9 t -40.39 -57.93 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.443 -0.785 . . . . 0.0 109.838 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.83 -20.03 5.47 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.746 HD22 HG11 ' A' ' 46' ' ' VAL . 30.7 tp -60.31 -11.6 6.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.128 -1.219 . . . . 0.0 110.514 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.46 ' CE ' ' O ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -75.16 1.14 14.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.903 -1.123 . . . . 0.0 109.984 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HB2' ' HE2' ' A' ' 36' ' ' LYS . . . -168.07 45.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.67 -57.47 2.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.279 -0.888 . . . . 0.0 109.596 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.792 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER 165.96 116.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.664 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' CB ' ' OE2' ' A' ' 103' ' ' GLU . . . -35.45 -29.78 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.711 -0.618 . . . . 0.0 111.164 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.6 t30 -74.66 -53.34 9.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.797 -1.189 . . . . 0.0 109.129 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' VAL . 14.5 m-20 -72.59 -1.37 15.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.285 -0.884 . . . . 0.0 109.196 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 39' ' ' SER . 42.2 t -92.56 -45.44 14.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -22.83 66.35 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -30.86 48.2 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.746 HG11 HD22 ' A' ' 35' ' ' LEU . 6.5 t -69.38 -46.38 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.491 -1.283 . . . . 0.0 108.041 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 58' ' ' ILE . 2.1 t80 -59.4 -52.37 65.9 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.385 0.612 . . . . 0.0 109.48 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -47.95 -26.18 1.64 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -87.84 -34.78 18.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.583 -0.698 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 58' ' ' ILE . 22.1 mm -54.17 -36.86 33.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 5.3 t0 -73.81 76.76 1.6 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.845 ' HB3' ' OE1' ' A' ' 62' ' ' GLU . . . -79.43 49.76 1.03 Allowed 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.075 0.464 . . . . 0.0 111.166 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -151.39 -92.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 175.09 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.201 -0.937 . . . . 0.0 110.675 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.5 p -143.28 32.86 1.33 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.793 -1.192 . . . . 0.0 109.525 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 35.33 31.34 0.02 OUTLIER Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.625 ' C ' HD12 ' A' ' 58' ' ' ILE . 29.5 m-85 -148.25 156.76 42.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -1.172 . . . . 0.0 110.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.886 HD13 ' CE2' ' A' ' 47' ' ' PHE . 1.5 mp -105.31 101.72 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.25 167.09 13.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.965 -1.084 . . . . 0.0 110.502 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.791 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.3 mp0 -46.92 -37.5 9.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.584 -0.698 . . . . 0.0 109.618 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -42.6 99.0 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.307 -0.871 . . . . 0.0 110.066 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.845 ' OE1' ' HB3' ' A' ' 52' ' ' ALA . 61.0 mm-40 -71.91 -22.08 61.54 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 60' ' ' GLU . 77.8 mt -74.06 -17.88 60.9 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 1.4 tttp -89.37 -30.46 18.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.0 108.979 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' LEU . 3.3 m-85 -94.78 -9.01 35.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.801 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.993 HG13 ' CD2' ' A' ' 67' ' ' LEU . 2.9 p -39.11 -25.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.219 -0.925 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.993 ' CD2' HG13 ' A' ' 66' ' ' VAL . 2.0 mm? -86.66 -43.44 12.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.605 -1.31 . . . . 0.0 108.067 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HG2' ' HA ' ' A' ' 72' ' ' ALA . 6.3 ttpt -53.57 -28.1 30.11 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.401 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -73.38 -30.15 63.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.868 -1.145 . . . . 0.0 109.942 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 5.7 m-30 -93.47 -17.83 23.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.181 -0.949 . . . . 0.0 110.982 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.687 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -132.12 -34.09 1.28 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.725 -1.235 . . . . 0.0 110.359 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 71' ' ' ALA . . . 98.59 -44.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.62 36.13 0.57 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.24 -78.61 0.96 Allowed Glycine 0 N--CA 1.486 1.97 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.325 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.538 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 9.3 mmm-85 -90.59 -70.16 0.69 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -1.213 . . . . 0.0 111.566 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 5.3 t70 80.47 96.16 0.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 82' ' ' THR . 3.6 mm? -37.58 153.97 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.538 0.685 . . . . 0.0 110.846 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.619 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -98.87 -23.5 15.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.522 -0.736 . . . . 0.0 110.222 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.619 ' CB ' ' O ' ' A' ' 78' ' ' THR . 87.0 m-20 124.76 -61.22 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 104.705 -2.332 . . . . 0.0 104.705 -177.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.36 90.82 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.544 ' CG ' ' HA2' ' A' ' 22' ' ' GLY . 26.3 mt-10 -61.85 -35.63 78.84 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.956 0.884 . . . . 0.0 108.839 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.821 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.8 m -75.02 -22.29 58.56 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -81.25 -9.33 59.79 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.593 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.7 -47.46 8.23 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.541 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.43 81.79 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.56 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.526 -0.734 . . . . 0.0 110.485 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.45 ' O ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -84.55 9.57 13.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.056 -1.028 . . . . 0.0 110.355 -179.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.468 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -117.35 -20.44 9.13 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HA ' ' HG ' ' A' ' 105' ' ' LEU . . . -114.16 -31.3 6.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.511 -0.743 . . . . 0.0 110.937 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -86.18 99.17 11.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.733 -1.229 . . . . 0.0 109.4 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.98 -50.53 11.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -74.39 -7.3 52.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.457 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 53.66 56.46 20.14 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.9 -26.63 20.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.146 . . . . 0.0 109.463 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.63 -18.5 17.28 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 133.1 45.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.267 . . . . 0.0 110.079 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.472 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 46.7 mm -92.73 105.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CE2' ' A' ' 47' ' ' PHE . . . -78.71 -175.21 45.75 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.681 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.2 mm -68.11 -70.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.219 -1.165 . . . . 0.0 110.423 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 99' ' ' ILE . 29.6 m-20 -39.14 -37.06 0.36 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.884 -1.135 . . . . 0.0 110.618 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -44.16 64.1 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.741 ' O ' HG23 ' A' ' 106' ' ' VAL . 10.4 t80 -67.77 -59.44 3.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.739 -0.6 . . . . 0.0 110.822 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 40' ' ' ALA . 69.8 tt0 -58.83 -16.99 19.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.581 -1.324 . . . . 0.0 110.376 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -86.2 -38.09 18.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.208 -0.932 . . . . 0.0 109.154 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.503 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 1.6 mm? -78.18 -53.66 7.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 109.793 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 102' ' ' PHE . 2.0 t -55.94 -40.87 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.883 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.662 ' NE2' HG21 ' A' ' 43' ' ' VAL . 12.0 m170 -65.87 -35.57 81.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.032 -1.043 . . . . 0.0 109.914 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 105' ' ' LEU . 11.8 pt-20 -88.24 -4.22 58.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.803 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.848 ' HB1' ' HA ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.667 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.881 ' O ' HD23 ' A' ' 6' ' ' LEU . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HG3' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -82.3 -39.39 22.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.372 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.422 ' OD1' ' HG3' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -64.63 -19.19 65.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.238 -0.914 . . . . 0.0 109.064 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -105.38 37.33 2.23 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.368 -0.832 . . . . 0.0 109.253 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.881 HD23 ' O ' ' A' ' 2' ' ' ALA . 1.4 mm? -133.27 -169.28 2.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.487 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.708 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -104.28 -9.37 18.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.504 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 79.89 -75.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.472 -0.768 . . . . 0.0 109.543 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.37 -20.9 63.53 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.259 -0.9 . . . . 0.0 109.56 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 45.2 m-20 -71.51 -29.86 65.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.193 -0.942 . . . . 0.0 109.506 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 6' ' ' LEU . 2.5 mt -84.61 -26.67 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.542 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -82.1 -13.38 57.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.66 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.748 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -90.94 -46.02 8.41 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.296 -0.878 . . . . 0.0 108.826 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.87 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -69.34 -40.19 77.71 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.294 -0.879 . . . . 0.0 109.951 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.048 HD11 HD21 ' A' ' 67' ' ' LEU . 5.9 mp -72.33 -35.53 68.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.254 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -69.52 -20.13 63.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.083 -1.011 . . . . 0.0 109.586 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.21 -17.01 26.74 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.45 -0.782 . . . . 0.0 109.422 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 14' ' ' ALA . 29.8 m -116.72 -10.63 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.235 -1.386 . . . . 0.0 112.925 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -36.04 -32.5 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.929 -1.107 . . . . 0.0 111.143 -178.59 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -49.05 175.75 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 109.665 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB3' HG21 ' A' ' 78' ' ' THR . 2.7 mp0 -102.9 68.78 1.02 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.173 0.987 . . . . 0.0 109.024 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.491 ' HA2' ' HG3' ' A' ' 81' ' ' GLU . . . 132.84 13.82 1.55 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.835 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 8.6 p -89.78 5.48 45.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.393 -1.063 . . . . 0.0 110.736 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CD1' HG11 ' A' ' 18' ' ' VAL . 12.1 t80 -77.06 157.7 30.95 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.655 -1.278 . . . . 0.0 110.292 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -144.13 -33.68 0.4 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.589 -0.694 . . . . 0.0 109.611 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.768 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 1.2 p-80 100.68 -39.82 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.659 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 3.2 mttm -87.56 -41.66 13.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.325 -0.86 . . . . 0.0 108.854 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.807 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.38 -32.63 66.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.539 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.87 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 88.0 t80 -71.25 -65.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.199 -0.938 . . . . 0.0 109.832 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 33' ' ' VAL . 12.7 m-85 -60.37 -31.41 70.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.317 -0.865 . . . . 0.0 110.372 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -58.54 -42.94 89.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.069 -1.019 . . . . 0.0 110.126 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 28' ' ' LYS . 2.3 mt -74.66 -60.83 2.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.02 -1.05 . . . . 0.0 110.123 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 34' ' ' GLY . 5.0 p -41.78 -45.88 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.546 ' N ' HG13 ' A' ' 33' ' ' VAL . . . 107.32 39.77 1.89 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.902 HD12 ' HG2' ' A' ' 38' ' ' MET . 15.8 tp -95.95 14.29 24.07 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.051 -1.264 . . . . 0.0 108.699 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 107' ' ' HIS . 1.0 OUTLIER -90.75 4.23 52.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 110.806 -179.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -177.01 39.5 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.626 -1.296 . . . . 0.0 110.7 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.902 ' HG2' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -93.39 71.91 4.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.893 -1.129 . . . . 0.0 109.501 179.478 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER 51.79 90.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.424 -0.797 . . . . 0.0 110.237 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.506 ' HB1' ' OE2' ' A' ' 103' ' ' GLU . . . -38.23 -40.37 0.51 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.452 -0.78 . . . . 0.0 110.695 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -50.76 69.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 109.154 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' HB2' ' OG ' ' A' ' 39' ' ' SER . 13.4 m-20 -67.38 -7.7 27.05 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 108.9 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.716 HG21 ' HE1' ' A' ' 107' ' ' HIS . 96.1 t -86.39 -40.54 14.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.682 ' CG ' HG21 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -58.65 -28.58 65.83 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 178.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -74.41 -34.04 63.16 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 50' ' ' ILE . 50.1 t -65.91 -45.04 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.689 ' CG ' HD13 ' A' ' 99' ' ' ILE . 2.6 t80 -60.93 -51.54 68.86 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -40.95 -32.24 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -81.03 -42.15 21.54 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.934 HG22 HG23 ' A' ' 58' ' ' ILE . 35.1 mm -54.73 -27.0 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.121 -0.987 . . . . 0.0 109.444 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.518 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 13.6 t70 -84.54 49.91 1.79 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.85 0.833 . . . . 0.0 108.888 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . -29.37 -47.4 0.06 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.1 p30 -86.8 38.04 0.78 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.387 -1.446 . . . . 0.0 111.18 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.518 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 27.77 43.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.966 -0.458 . . . . 0.0 111.857 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 27.6 p -98.61 17.34 19.38 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.777 -1.202 . . . . 0.0 108.114 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 57.54 16.28 21.37 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 48.9 m-85 -149.0 149.18 30.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -1.128 . . . . 0.0 111.223 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.934 HG23 HG22 ' A' ' 50' ' ' ILE . 7.3 mm -88.49 108.39 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.76 160.66 17.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.921 -1.112 . . . . 0.0 110.257 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.67 ' CG ' HD22 ' A' ' 86' ' ' LEU . 1.1 mm-40 -50.41 -38.21 41.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.58 -34.05 76.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -71.96 -28.7 63.61 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.5 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 31.6 mt -68.38 -37.85 80.81 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -44.83 95.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.826 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 67' ' ' LEU . 5.6 m-85 -99.58 6.27 45.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 109.465 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.703 HG23 HG23 ' A' ' 50' ' ' ILE . 4.3 p -36.68 -27.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.507 -0.746 . . . . 0.0 111.284 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.048 HD21 HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -98.91 42.13 1.11 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.668 -1.27 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -101.12 -21.99 14.82 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 55.3 m -81.6 -19.89 40.93 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -92.97 -20.54 20.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.525 -0.734 . . . . 0.0 109.117 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.715 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -145.59 -28.76 0.44 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.282 -0.886 . . . . 0.0 110.745 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 71' ' ' ALA . . . 93.55 -38.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.36 33.34 0.57 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.26 -76.95 0.93 Allowed Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.703 ' HB2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -85.5 112.29 20.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -1.184 . . . . 0.0 110.715 -178.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' LEU . 2.9 m-20 -111.05 92.32 4.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 82' ' ' THR . 6.7 mt -39.06 141.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.75 0.786 . . . . 0.0 110.75 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.639 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.13 -19.46 34.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.794 -0.566 . . . . 0.0 110.327 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' A' ' 78' ' ' THR . 12.9 t0 127.26 -61.58 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.57 72.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG3' ' HA2' ' A' ' 22' ' ' GLY . 23.6 mt-10 -67.39 -29.66 69.24 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.998 0.904 . . . . 0.0 109.009 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.527 ' HA ' HD13 ' A' ' 77' ' ' LEU . 5.2 m -76.36 -25.59 54.82 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -82.42 -13.04 57.45 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -50.44 6.01 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.436 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -58.93 -45.66 89.83 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD22 ' CG ' ' A' ' 60' ' ' GLU . 49.6 tp -67.33 -37.12 82.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.537 -0.727 . . . . 0.0 110.31 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -81.87 -9.68 59.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.938 -1.101 . . . . 0.0 110.41 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.955 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -113.4 -8.23 13.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.135 -0.978 . . . . 0.0 108.625 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.78 -34.97 7.92 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.548 -0.72 . . . . 0.0 109.304 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 5.7 t0 -93.74 -168.6 1.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.249 -0.907 . . . . 0.0 109.145 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 17.6 tttt 172.51 -52.21 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 94' ' ' ASP . 25.2 p-10 -52.63 -21.5 4.02 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.177 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.28 23.81 42.72 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.426 -1.069 . . . . 0.0 110.426 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.436 ' CG ' ' OD2' ' A' ' 92' ' ' ASP . 17.5 p-10 -93.87 -26.78 16.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.986 -1.302 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.47 -12.9 59.93 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 5.0 mttp -120.48 125.71 48.57 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -1.153 . . . . 0.0 109.377 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.612 ' O ' HG12 ' A' ' 58' ' ' ILE . 2.7 mp -91.96 102.1 13.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.387 -0.821 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.43 -166.36 4.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.689 HD13 ' CG ' ' A' ' 47' ' ' PHE . 12.4 mm -70.0 -72.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.22 -1.164 . . . . 0.0 110.064 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -38.74 -39.28 0.49 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.209 -0.932 . . . . 0.0 110.187 -178.429 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -67.22 -46.06 74.96 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.689 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 106' ' ' VAL . 47.5 t80 -66.8 -57.4 7.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.722 -0.611 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.506 ' OE2' ' HB1' ' A' ' 40' ' ' ALA . 43.1 tt0 -66.81 -5.98 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.761 -1.212 . . . . 0.0 110.388 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.8 m -90.65 -55.38 3.6 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.955 HD23 ' O ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -75.14 -11.35 60.06 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.351 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.569 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 51.3 t -90.02 -33.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.716 ' HE1' HG21 ' A' ' 43' ' ' VAL . 13.4 m80 -89.03 -15.69 33.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.245 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -107.82 27.86 8.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.505 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.445 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.71 ' O ' ' HB2' ' A' ' 1' ' ' ALA . . . . . . . . 0 C--O 1.216 -0.703 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 0' ' ' ACE . . . 164.13 -35.53 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.159 -0.963 . . . . 0.0 109.947 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 69' ' ' SER . . . -99.74 6.58 45.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.103 -0.998 . . . . 0.0 109.074 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 1.2 pttt -67.9 -39.44 83.6 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.243 -0.911 . . . . 0.0 108.76 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.437 ' N ' ' CG ' ' A' ' 3' ' ' LYS . 4.7 m-20 -86.41 -12.9 47.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.843 . . . . 0.0 109.148 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.82 7.72 35.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.43 -0.794 . . . . 0.0 109.422 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 11' ' ' ILE . 8.6 mt -115.95 -167.8 1.32 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.254 -0.904 . . . . 0.0 109.481 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.726 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -99.85 -6.25 27.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.642 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.726 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 79.28 -75.75 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.339 -0.851 . . . . 0.0 110.099 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -58.61 -25.72 62.95 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -67.41 -31.9 72.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.041 -1.037 . . . . 0.0 109.265 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.635 HG22 HD13 ' A' ' 15' ' ' LEU . 3.4 mt -79.16 -21.32 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.436 -0.79 . . . . 0.0 109.258 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 4.1 mtpt -79.45 -20.71 46.77 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.258 -0.902 . . . . 0.0 109.968 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -87.08 -40.71 14.43 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.042 -1.036 . . . . 0.0 109.258 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.647 ' HB1' ' CD2' ' A' ' 29' ' ' PHE . . . -67.86 -53.25 28.22 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 121.023 -1.048 . . . . 0.0 110.044 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.635 HD13 HG22 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -62.23 -34.3 76.23 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.541 -0.724 . . . . 0.0 110.021 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 18.2 m-20 -70.42 -19.96 62.95 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.92 -1.112 . . . . 0.0 109.73 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.22 -21.95 20.86 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.334 -0.854 . . . . 0.0 109.628 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.536 ' O ' ' N ' ' A' ' 20' ' ' ALA . 16.7 m -109.06 -15.89 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 C-N-CA 118.503 -1.279 . . . . 0.0 112.29 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.2 mttt -32.8 -31.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.336 -0.853 . . . . 0.0 111.699 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB3' ' CB ' ' A' ' 23' ' ' SER . . . -47.06 173.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.985 -1.072 . . . . 0.0 109.403 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -99.73 69.26 1.58 Allowed 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.432 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.532 ' HA2' ' CG ' ' A' ' 81' ' ' GLU . . . 131.59 12.45 1.99 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.791 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 86.8 p -93.55 5.4 51.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.525 -0.986 . . . . 0.0 110.918 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 18.7 t80 -91.56 139.62 30.53 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.632 -1.293 . . . . 0.0 110.338 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.694 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 1.9 m-80 -117.7 -64.71 1.26 Allowed 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.694 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 43.6 p-80 140.92 -28.11 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HG3' ' NE2' ' A' ' 26' ' ' HIS . 31.9 mtmt -85.28 -53.43 5.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.378 -0.826 . . . . 0.0 110.468 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -67.75 -27.66 66.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.024 -1.048 . . . . 0.0 109.861 -179.171 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.76 ' CZ ' HD13 ' A' ' 67' ' ' LEU . 28.2 t80 -73.18 -63.71 1.13 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.175 -0.953 . . . . 0.0 110.004 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.621 ' HB2' ' HB1' ' A' ' 109' ' ' ALA . 44.0 m-85 -58.34 -39.34 79.23 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.0 110.05 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB2' ' OXT' ' A' ' 109' ' ' ALA . . . -61.76 -28.02 69.15 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.076 -1.015 . . . . 0.0 109.193 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 13' ' ' LYS . 2.4 mt -80.93 -63.72 1.34 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.232 -0.918 . . . . 0.0 109.562 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -43.34 -45.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.941 . . . . 0.0 109.488 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.03 31.88 3.98 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.158 -1.02 . . . . 0.0 110.564 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.822 HD23 HG13 ' A' ' 106' ' ' VAL . 14.5 tp -71.03 -31.0 67.36 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.814 -1.404 . . . . 0.0 109.381 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -67.86 -28.86 67.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.143 -0.973 . . . . 0.0 109.525 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 36' ' ' LYS . . . -59.42 -33.25 71.02 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.106 -0.996 . . . . 0.0 109.483 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.41 ' HG3' ' HB3' ' A' ' 42' ' ' ASP . 1.1 tpp -54.77 167.6 0.36 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.162 -0.961 . . . . 0.0 109.485 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.8 p -97.08 145.11 26.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.249 -0.907 . . . . 0.0 109.548 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.04 -40.92 0.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.647 -0.658 . . . . 0.0 110.872 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -67.98 -52.87 30.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.958 -1.089 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.2 m-20 -67.67 -6.02 18.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.055 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 39' ' ' SER . 64.7 t -88.46 -41.68 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.025 ' HG3' HG21 ' A' ' 99' ' ' ILE . 4.5 ttmt -61.24 -24.03 66.07 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -80.93 -30.83 35.24 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 42' ' ' ASP . 55.9 t -70.76 -38.01 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.209 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.742 ' CD2' HD11 ' A' ' 58' ' ' ILE . 1.5 t80 -68.41 -49.99 56.09 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -44.9 -31.03 1.11 Allowed 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HB1' ' OG ' ' A' ' 69' ' ' SER . . . -79.05 -40.95 29.99 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.756 HG22 HG23 ' A' ' 58' ' ' ILE . 31.2 mm -55.41 -33.83 32.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 121.074 -1.017 . . . . 0.0 108.459 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.508 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 25.4 t0 -60.72 83.98 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.868 0.842 . . . . 0.0 109.48 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -61.33 -49.05 78.56 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.911 -0.493 . . . . 0.0 111.746 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.6 p30 -88.69 29.94 0.96 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.654 -1.279 . . . . 0.0 111.216 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.508 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 40.15 41.54 0.98 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.155 -0.965 . . . . 0.0 110.812 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.483 ' O ' ' OG ' ' A' ' 55' ' ' SER . 3.9 t -112.81 34.58 4.32 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.892 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 39.0 36.08 0.46 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 15.6 m-85 -150.17 153.86 37.03 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.301 -1.117 . . . . 0.0 110.825 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.756 HG23 HG22 ' A' ' 50' ' ' ILE . 1.8 mm -109.11 98.37 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -88.05 172.51 9.48 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.004 -1.06 . . . . 0.0 110.434 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.571 ' HG3' HD13 ' A' ' 86' ' ' LEU . 28.9 mp0 -51.05 -40.05 57.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.601 -0.687 . . . . 0.0 109.905 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 64' ' ' LYS . 3.1 tp10 -61.82 -34.54 76.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.977 -1.077 . . . . 0.0 109.54 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -63.31 -46.01 88.68 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 179.089 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.618 HD22 ' CG ' ' A' ' 85' ' ' PHE . 43.5 mt -50.71 -40.82 55.16 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.542 ' O ' HD23 ' A' ' 77' ' ' LEU . 25.3 tptt -55.75 -43.69 76.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.371 -0.831 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HB3' ' HB2' ' A' ' 68' ' ' LYS . 74.5 m-85 -112.12 25.81 11.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.076 -1.015 . . . . 0.0 109.394 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.535 HG13 ' CD2' ' A' ' 67' ' ' LEU . 4.1 p -45.33 -41.4 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.465 -0.772 . . . . 0.0 111.458 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.017 HD12 ' HB2' ' A' ' 75' ' ' ARG . 1.5 mt -90.44 38.11 0.93 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.564 -1.335 . . . . 0.0 109.331 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -84.13 -38.38 20.79 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.477 -0.764 . . . . 0.0 108.992 179.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.489 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 4.5 m -58.32 -27.66 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.306 -0.871 . . . . 0.0 108.965 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.56 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 1.3 m-30 -89.11 -27.63 20.62 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 68' ' ' LYS . . . -157.91 116.41 3.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.577 -0.702 . . . . 0.0 109.197 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.89 -38.19 1.49 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.431 -0.793 . . . . 0.0 109.096 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.454 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 10.2 t70 -142.79 61.85 1.41 Allowed 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -85.06 -86.4 0.94 Allowed Glycine 0 N--CA 1.485 1.903 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 1.017 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.7 mmm180 -91.4 111.73 23.35 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.515 -0.991 . . . . 0.0 110.174 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 3.6 m-20 -90.24 105.22 17.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 108.792 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 82' ' ' THR . 4.0 mm? -41.1 150.45 0.08 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.266 -0.896 . . . . 0.0 110.397 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -95.83 -6.54 39.2 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.472 -0.767 . . . . 0.0 109.153 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.2 t0 105.9 -62.1 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 105.75 -1.945 . . . . 0.0 105.75 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.96 88.99 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.532 ' CG ' ' HA2' ' A' ' 22' ' ' GLY . 49.2 mt-10 -62.72 -25.63 68.27 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.866 0.841 . . . . 0.0 109.524 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.616 ' N ' HD12 ' A' ' 77' ' ' LEU . 9.0 m -84.43 -22.13 30.49 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 1.1 tmtm? -82.21 -13.62 56.82 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.43 -51.7 5.78 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.618 ' CG ' HD22 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -51.82 -47.81 64.16 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.571 HD13 ' HG3' ' A' ' 60' ' ' GLU . 40.6 tp -60.92 -47.9 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.568 -0.708 . . . . 0.0 110.822 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 25.5 pttt -86.69 6.45 31.15 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.82 -1.175 . . . . 0.0 110.944 -178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.51 -19.77 12.0 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.852 -1.155 . . . . 0.0 108.49 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.48 ' HA ' ' HG ' ' A' ' 105' ' ' LEU . . . -110.68 -37.35 5.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.542 -0.724 . . . . 0.0 110.081 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.46 ' HA ' HD11 ' A' ' 97' ' ' ILE . 12.3 t0 -66.08 91.55 0.16 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.081 -1.012 . . . . 0.0 109.669 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -51.48 11.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.92 . . . . 0.0 109.331 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -66.43 -14.07 61.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.263 -0.898 . . . . 0.0 109.472 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.52 42.77 99.83 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -95.37 -30.13 14.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.238 -1.154 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.0 -5.37 23.87 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -138.43 127.19 23.66 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.121 -1.223 . . . . 0.0 109.603 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' A' ' 101' ' ' GLU . 49.8 mm -93.73 100.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.406 -0.809 . . . . 0.0 109.781 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.56 -160.9 2.0 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 1.025 HG21 ' HG3' ' A' ' 44' ' ' LYS . 11.6 mm -72.18 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.977 -1.308 . . . . 0.0 110.335 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 70.3 m-20 -37.24 -37.75 0.19 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.004 -1.06 . . . . 0.0 110.57 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.726 ' HB3' HG23 ' A' ' 97' ' ' ILE . 1.5 tm-20 -69.65 -47.15 64.34 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.947 ' O ' HG23 ' A' ' 106' ' ' VAL . 59.9 t80 -66.54 -56.67 9.73 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.725 -0.61 . . . . 0.0 111.049 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.498 ' CG ' HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -60.08 -18.83 49.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.65 -1.281 . . . . 0.0 109.788 -179.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -82.2 -29.18 31.58 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER -90.31 -15.82 30.45 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 102' ' ' PHE . 16.7 t -84.61 -29.58 6.92 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.42 -0.8 . . . . 0.0 109.06 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 4.5 m80 -88.0 -32.36 18.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.791 . . . . 0.0 109.577 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.02 14.18 12.94 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.244 -0.91 . . . . 0.0 109.36 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' ' 30' ' ' PHE . . . . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.424 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.71 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -179.19 50.19 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.33 12.9 26.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.247 -0.908 . . . . 0.0 109.472 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' HB3' ' HA ' ' A' ' 70' ' ' PHE . 10.0 ptmt -76.18 -26.58 56.36 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.138 -0.976 . . . . 0.0 109.12 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.448 ' OD1' ' HE2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -107.84 -10.19 15.6 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.435 -0.791 . . . . 0.0 109.447 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.966 ' CD2' HD23 ' A' ' 6' ' ' LEU . 6.9 tt -89.4 -43.24 11.03 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.853 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.966 HD23 ' CD2' ' A' ' 5' ' ' LEU . 3.4 pp -151.99 144.51 24.16 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.0 110.951 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.923 ' O ' HD12 ' A' ' 11' ' ' ILE . 8.9 mptt 64.51 32.97 11.33 Favored 'General case' 0 C--O 1.194 -1.822 0 O-C-N 121.39 -0.819 . . . . 0.0 110.356 178.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.64 68.74 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.62 -34.92 23.02 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.297 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 11.9 m-20 -65.46 -36.01 82.6 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 7' ' ' LYS . 2.8 mt -55.38 -46.39 78.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 177.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.61 -34.51 26.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.779 -0.576 . . . . 0.0 110.196 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -85.08 -25.45 27.57 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.958 -1.089 . . . . 0.0 109.583 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -73.09 -34.26 66.09 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 120.963 -1.086 . . . . 0.0 110.231 -178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD23 ' HG2' ' A' ' 75' ' ' ARG . 3.6 mt -74.89 -45.16 44.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.574 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -17.57 54.17 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.43 -0.794 . . . . 0.0 108.919 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.81 -30.18 26.75 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.61 HG21 ' HD2' ' A' ' 24' ' ' PHE . 25.6 m -132.07 29.98 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.204 -0.935 . . . . 0.0 111.678 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 15' ' ' LEU . 6.9 tttm -59.67 -29.54 68.13 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.518 -1.364 . . . . 0.0 111.134 -178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.765 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -55.84 174.07 0.12 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.897 -1.127 . . . . 0.0 109.895 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 0.9 OUTLIER -98.57 69.17 1.87 Allowed 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 122.113 0.959 . . . . 0.0 109.048 179.735 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.46 9.31 1.04 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.765 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 3.0 p -89.89 10.55 23.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -1.14 . . . . 0.0 109.95 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.61 ' HD2' HG21 ' A' ' 18' ' ' VAL . 33.9 t80 -82.21 143.24 31.52 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.084 -1.01 . . . . 0.0 110.412 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.571 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 8.2 m-20 -125.46 -30.68 3.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.524 -0.735 . . . . 0.0 109.139 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 0.7 OUTLIER 97.68 -39.16 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.382 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.823 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 12.1 mtpp -90.84 -37.06 13.85 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 109.131 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.677 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -77.21 -35.8 55.37 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.213 -0.929 . . . . 0.0 108.797 179.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.703 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 89.9 t80 -66.99 -60.01 3.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.475 -0.766 . . . . 0.0 109.263 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' O ' HG12 ' A' ' 33' ' ' VAL . 48.4 m-85 -66.32 -31.84 72.87 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.419 -0.801 . . . . 0.0 109.577 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.823 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -48.66 -50.18 34.19 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.061 -1.024 . . . . 0.0 109.225 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -74.22 -45.54 47.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 110.127 -179.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.635 HG22 ' CG ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -44.27 -49.74 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.095 -1.003 . . . . 0.0 110.136 -179.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' N ' ' CG1' ' A' ' 33' ' ' VAL . . . 104.36 27.26 6.21 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.572 ' HG ' ' CG1' ' A' ' 106' ' ' VAL . 4.7 tp -101.94 19.05 19.12 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 120.852 -1.381 . . . . 0.0 109.468 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.575 ' CE ' ' HB2' ' A' ' 37' ' ' ALA . 3.5 ttpt -84.03 -19.05 35.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 111.204 -179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.575 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -133.16 29.23 4.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.443 -1.41 . . . . 0.0 110.581 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.858 ' HB3' HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -65.02 157.65 27.78 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.883 -1.136 . . . . 0.0 108.989 179.436 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 1.004 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -64.82 117.68 7.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.123 -0.986 . . . . 0.0 109.533 -179.709 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -36.27 -28.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.631 -0.668 . . . . 0.0 111.297 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 t30 -74.06 -58.76 3.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.789 -1.194 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 46' ' ' VAL . 5.9 m-20 -69.34 -4.97 20.35 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.142 -0.974 . . . . 0.0 109.24 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 39' ' ' SER . 17.6 t -89.07 -43.13 14.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.607 ' HG2' HG21 ' A' ' 99' ' ' ILE . 0.5 OUTLIER -61.22 -24.94 66.72 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -77.96 -31.45 50.86 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.653 HG22 HD21 ' A' ' 6' ' ' LEU . 39.6 t -67.26 -47.41 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 178.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.0 t80 -58.49 -52.14 66.9 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -43.6 -31.49 0.76 Allowed 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 179.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -75.12 -45.22 42.45 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.032 ' CG2' HD12 ' A' ' 58' ' ' ILE . 41.7 mm -53.71 -32.17 20.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.482 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 12.3 t0 -61.4 83.18 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.523 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.506 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . . . -44.34 -69.98 0.12 Allowed 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.532 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 55' ' ' SER . 1.9 p30 -89.55 22.15 3.12 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.978 -1.076 . . . . 0.0 111.185 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.482 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 48.59 59.96 4.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 110.761 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.7 p -116.1 36.03 4.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.014 -1.054 . . . . 0.0 108.458 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.68 22.17 1.74 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 49.6 m-85 -151.82 142.5 22.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.133 -1.216 . . . . 0.0 110.638 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.032 HD12 ' CG2' ' A' ' 50' ' ' ILE . 3.6 mm -89.38 114.81 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 177.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.87 167.26 13.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.79 -1.194 . . . . 0.0 110.719 -177.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 63' ' ' LEU . 9.3 mt-10 -53.79 -36.6 62.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.713 -0.617 . . . . 0.0 109.549 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.3 -33.82 75.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.231 -0.918 . . . . 0.0 109.745 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HG3' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -66.73 -42.74 85.79 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 60' ' ' GLU . 59.3 mt -54.7 -39.3 68.04 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.935 ' O ' HD23 ' A' ' 77' ' ' LEU . 5.7 mttt -57.32 -41.43 79.93 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 64' ' ' LYS . 26.5 m-85 -115.28 33.69 5.3 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.388 -0.82 . . . . 0.0 109.381 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.786 HG13 ' HG ' ' A' ' 67' ' ' LEU . 2.7 p -39.46 -32.75 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.317 -0.865 . . . . 0.0 111.25 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.989 HD12 ' HB2' ' A' ' 75' ' ' ARG . 5.8 mt -103.77 44.06 1.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.577 -1.327 . . . . 0.0 109.775 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 11.3 ttpt -85.12 -40.11 17.14 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.0 m -63.69 -21.28 66.31 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.515 ' HA ' ' HB3' ' A' ' 3' ' ' LYS . 19.7 m-30 -89.51 -22.63 22.34 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' ALA . . . -164.8 117.63 1.26 Allowed 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -41.87 -37.55 1.32 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.331 -0.856 . . . . 0.0 109.087 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -143.88 62.22 1.36 Allowed 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -88.15 -85.08 1.21 Allowed Glycine 0 N--CA 1.486 2.013 0 C-N-CA 119.955 -1.117 . . . . 0.0 110.319 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.989 ' HB2' HD12 ' A' ' 67' ' ' LEU . 6.0 mmm180 -90.96 112.77 24.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -1.094 . . . . 0.0 110.723 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.26 116.87 27.81 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.935 HD23 ' O ' ' A' ' 64' ' ' LYS . 3.1 mm? -62.7 151.67 37.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.983 . . . . 0.0 109.909 -179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -97.09 -23.1 16.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.368 -0.833 . . . . 0.0 110.277 -179.298 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 10.2 t70 121.33 -62.15 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 104.522 -2.399 . . . . 0.0 104.522 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.55 87.72 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.621 ' HB3' HD13 ' A' ' 77' ' ' LEU . 31.4 tt0 -61.03 -36.47 79.63 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.094 0.95 . . . . 0.0 108.576 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.746 ' N ' HD12 ' A' ' 77' ' ' LEU . 21.0 m -77.84 -20.65 52.73 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -77.97 -10.89 59.81 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.79 -50.25 6.16 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' HB3' HD22 ' A' ' 63' ' ' LEU . 1.3 t80 -58.93 -47.82 83.68 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.48 -42.76 99.71 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.571 -0.706 . . . . 0.0 110.112 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -80.18 4.7 16.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.104 -0.997 . . . . 0.0 110.107 -179.255 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.648 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -119.82 -15.9 8.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.106 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.58 15.43 7.6 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.545 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.43 ' OD2' ' HA2' ' A' ' 93' ' ' GLY . 5.9 t70 -132.86 63.64 1.63 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.2 -0.937 . . . . 0.0 109.238 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -66.34 -44.22 83.9 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.299 -0.876 . . . . 0.0 109.713 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' ' OD1' ' A' ' 94' ' ' ASP . 44.0 p-10 -63.34 -14.98 55.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.192 -0.943 . . . . 0.0 109.567 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.43 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 62.07 40.06 98.43 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 96' ' ' LYS . 9.4 p-10 -96.68 -7.24 34.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.215 -1.167 . . . . 0.0 109.771 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.446 ' C ' ' HG3' ' A' ' 96' ' ' LYS . . . 74.56 15.52 80.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HG3' ' C ' ' A' ' 95' ' ' GLY . 0.2 OUTLIER -149.33 124.64 10.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -1.169 . . . . 0.0 109.767 -179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.568 ' O ' HG12 ' A' ' 58' ' ' ILE . 2.8 mp -100.35 101.63 12.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 0.0 109.06 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.96 -165.42 3.97 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.672 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 9.5 mm -72.01 -72.24 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.281 -1.129 . . . . 0.0 109.762 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.505 ' C ' ' O ' ' A' ' 99' ' ' ILE . 19.8 p-10 -37.53 -36.87 0.18 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.999 -1.063 . . . . 0.0 110.619 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.561 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -73.03 -44.99 60.16 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.896 -1.127 . . . . 0.0 107.985 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.578 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 47.0 t80 -67.69 -52.94 31.95 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.79 -0.569 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.639 ' CG ' ' CE1' ' A' ' 107' ' ' HIS . 31.0 tt0 -70.05 -9.69 56.2 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.659 -1.276 . . . . 0.0 110.589 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 2.0 m -90.41 -56.28 3.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.628 -1.295 . . . . 0.0 108.197 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -44.19 91.62 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.973 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.572 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 95.4 t -59.43 -41.09 83.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.445 -0.784 . . . . 0.0 108.891 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.639 ' CE1' ' CG ' ' A' ' 103' ' ' GLU . 28.7 m170 -74.16 -16.77 60.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.528 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -100.39 39.87 1.31 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.426 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.92 ' H1 ' ' HA ' ' A' ' 69' ' ' SER . . . . . . . . 0 C--O 1.215 -0.711 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -160.78 37.17 0.15 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.257 -0.902 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.53 16.68 20.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.332 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 70' ' ' PHE . 9.8 mtpt -89.98 -10.3 45.51 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.281 -0.887 . . . . 0.0 109.735 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.49 -23.11 65.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.051 -1.031 . . . . 0.0 109.398 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' A' ' 42' ' ' ASP . 15.4 tp -89.34 -41.13 12.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.207 -0.933 . . . . 0.0 108.709 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.971 HD12 HD11 ' A' ' 11' ' ' ILE . 1.5 pp -146.03 137.83 25.03 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' CA ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -168.15 37.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.92 -1.113 . . . . 0.0 110.156 -179.63 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.536 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -147.86 -122.26 0.06 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.992 -1.067 . . . . 0.0 110.205 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -60.64 -14.33 19.92 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.768 -1.207 . . . . 0.0 109.643 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 22.2 m-20 -75.15 -32.09 61.21 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.304 -0.873 . . . . 0.0 109.363 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.971 HD11 HD12 ' A' ' 6' ' ' LEU . 2.5 mp -91.3 -21.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.131 -0.98 . . . . 0.0 109.687 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 3.3 mmtm -82.23 -22.82 35.68 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.158 -0.964 . . . . 0.0 109.828 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HB3' HD23 ' A' ' 32' ' ' LEU . 2.6 mtpt -90.67 -48.22 7.19 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.165 -0.959 . . . . 0.0 108.82 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.604 ' CB ' HG13 ' A' ' 33' ' ' VAL . . . -60.49 -46.46 90.02 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.324 -0.86 . . . . 0.0 110.21 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.762 HD21 HD21 ' A' ' 67' ' ' LEU . 3.3 mm? -67.61 -45.39 75.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 0.0 109.442 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.505 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 11.6 m-20 -63.72 -18.32 63.9 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.11 -0.993 . . . . 0.0 108.964 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.29 -25.83 31.2 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.559 ' CG1' ' HA ' ' A' ' 24' ' ' PHE . 9.9 m -133.63 27.14 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 119.063 -1.055 . . . . 0.0 112.116 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' LEU . 9.0 tptp -65.41 -23.25 66.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.311 -1.493 . . . . 0.0 111.089 -178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.482 ' HB3' ' HB3' ' A' ' 23' ' ' SER . . . -64.82 172.42 2.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.066 -1.021 . . . . 0.0 110.217 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HB3' ' OG1' ' A' ' 78' ' ' THR . 3.6 mt-10 -98.59 70.63 1.94 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.098 0.951 . . . . 0.0 109.135 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.7 5.62 0.9 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 24.6 p -103.99 24.57 11.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.25 -1.147 . . . . 0.0 109.626 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.594 ' CE1' ' N ' ' A' ' 26' ' ' HIS . 42.2 t80 -90.43 142.49 27.68 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.011 -1.056 . . . . 0.0 110.395 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 27' ' ' LYS . 6.2 t-20 -140.86 90.49 2.34 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.1 p-80 -31.26 -34.97 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.826 -0.547 . . . . 0.0 111.535 -178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.602 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.077 -1.014 . . . . 0.0 110.586 -179.094 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 7.7 mmpt? -69.95 -51.68 30.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.963 -1.086 . . . . 0.0 109.944 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 1.013 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 52.1 t80 -48.59 -65.3 0.59 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.31 -0.869 . . . . 0.0 110.097 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' HA ' HG22 ' A' ' 33' ' ' VAL . 41.8 m-85 -62.18 -35.03 77.59 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.474 -0.766 . . . . 0.0 110.285 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -60.76 -22.91 64.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.066 -1.021 . . . . 0.0 108.979 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 13' ' ' LYS . 1.1 tp -88.78 -60.54 1.93 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 14' ' ' ALA . 6.2 m -39.73 -50.3 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.251 -0.906 . . . . 0.0 110.153 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.521 ' H ' HG23 ' A' ' 33' ' ' VAL . . . 144.28 -29.71 1.9 Allowed Glycine 0 N--CA 1.489 2.211 0 C-N-CA 119.57 -1.3 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.135 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -43.16 -29.85 0.41 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -1.182 . . . . 0.0 111.119 -179.316 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' CE ' ' HB2' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -39.02 -27.51 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.134 -0.979 . . . . 0.0 110.522 -179.035 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -177.04 65.68 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.905 -1.122 . . . . 0.0 109.683 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.8 tpt -87.65 -68.24 0.77 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.231 -0.918 . . . . 0.0 109.253 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.841 ' O ' HG23 ' A' ' 43' ' ' VAL . 51.5 p -172.79 113.75 0.26 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.192 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -32.98 -33.9 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.808 -0.557 . . . . 0.0 111.568 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' SER . 1.7 t30 -74.25 -58.31 3.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.79 -1.194 . . . . 0.0 110.092 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.811 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.5 m-20 -71.67 -1.85 15.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.097 -1.002 . . . . 0.0 109.689 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 39' ' ' SER . 49.2 t -92.77 -46.86 14.0 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.728 ' HG2' HG21 ' A' ' 99' ' ' ILE . 11.2 mtpt -64.73 -22.46 66.99 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.22 -30.66 54.74 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.135 HG21 HD21 ' A' ' 35' ' ' LEU . 41.0 t -64.16 -48.26 86.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.777 ' CG ' HD13 ' A' ' 99' ' ' ILE . 1.6 t80 -60.32 -51.3 70.13 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -44.05 -27.88 0.42 Allowed 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.605 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -82.28 -42.1 19.27 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.859 HG22 HG23 ' A' ' 58' ' ' ILE . 35.4 mm -55.75 -30.05 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 56' ' ' GLY . 33.2 t0 -71.18 78.45 0.7 Allowed 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.87 0.843 . . . . 0.0 109.311 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . . . -52.94 -50.34 64.24 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.408 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 54' ' ' ALA . 40.4 p30 -88.54 24.25 2.01 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.711 -1.243 . . . . 0.0 110.774 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . 36.56 54.0 1.07 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.478 -0.764 . . . . 0.0 110.908 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.4 p -118.95 39.07 3.62 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.114 -0.991 . . . . 0.0 108.524 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 51' ' ' ASP . . . 42.43 29.92 0.77 Allowed Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 55' ' ' SER . 45.9 m-85 -150.98 147.85 27.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.974 -1.309 . . . . 0.0 111.129 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.859 HG23 HG22 ' A' ' 50' ' ' ILE . 3.8 mm -101.26 110.3 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' OE1' ' OE2' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -88.8 156.31 19.04 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.879 -1.138 . . . . 0.0 109.927 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 86' ' ' LEU . 45.9 mt-10 -51.46 -35.67 40.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 0.0 109.618 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -36.71 84.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.25 -0.907 . . . . 0.0 110.004 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' A' ' 52' ' ' ALA . 4.4 mt-10 -66.8 -40.66 88.18 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 85' ' ' PHE . 26.7 mt -53.19 -33.55 53.17 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -62.46 -54.87 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.807 . . . . 0.0 109.178 179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' LEU . 38.7 m-85 -90.04 14.47 12.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.089 -1.007 . . . . 0.0 108.996 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.0 p -37.46 -26.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.65 -0.656 . . . . 0.0 111.639 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.013 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -117.34 46.62 1.67 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.409 -1.432 . . . . 0.0 111.137 -178.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -98.54 -24.59 15.06 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.022 -1.049 . . . . 0.0 108.243 178.364 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.92 ' HA ' ' H1 ' ' A' ' 0' ' ' ACE . 3.8 m -72.85 -25.86 61.26 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.731 ' CE1' HD11 ' A' ' 6' ' ' LEU . 92.9 m-85 -89.08 -20.62 24.1 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.648 ' HB3' ' HA3' ' A' ' 74' ' ' GLY . . . -170.18 125.98 0.79 Allowed 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -42.45 -32.35 0.53 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.273 -0.892 . . . . 0.0 109.149 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.35 49.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.648 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -70.64 -72.84 0.84 Allowed Glycine 0 N--CA 1.488 2.105 0 N-CA-C 110.451 -1.059 . . . . 0.0 110.451 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.505 ' HB2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -87.47 -64.88 1.08 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -1.176 . . . . 0.0 110.243 -179.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.474 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 4.9 t70 66.9 108.22 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.974 . . . . 0.0 108.875 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 81' ' ' GLU . 3.0 mm? -60.18 153.36 22.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.238 -0.914 . . . . 0.0 110.044 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.664 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.1 m -98.96 -7.09 27.54 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.439 -0.788 . . . . 0.0 109.732 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.664 ' CB ' ' O ' ' A' ' 78' ' ' THR . 34.0 t0 108.26 -61.79 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.74 -38.05 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.713 ' HB2' HD13 ' A' ' 77' ' ' LEU . 45.6 mt-10 -65.6 -18.05 65.04 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.601 0.715 . . . . 0.0 110.058 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.712 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.0 m -84.69 -24.53 28.92 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -82.2 -16.62 49.05 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.18 -51.38 6.33 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -54.65 -46.32 73.97 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 121.499 0.666 . . . . 0.0 109.209 179.149 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 60' ' ' GLU . 24.1 tp -63.41 -41.19 98.71 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.627 -0.67 . . . . 0.0 110.559 -179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -69.37 -9.92 55.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.95 -1.093 . . . . 0.0 110.127 -179.227 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.539 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -114.21 -12.69 12.45 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.068 -1.02 . . . . 0.0 108.825 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' A' ' 97' ' ' ILE . . . -95.07 -21.73 18.36 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.396 -0.815 . . . . 0.0 109.277 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.503 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.5 t70 -104.56 -176.74 3.17 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.203 -0.935 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 15.0 ttmm 173.74 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -68.03 -11.08 58.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.312 -0.868 . . . . 0.0 109.198 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.32 40.28 10.28 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -110.0 5.28 22.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.143 -1.21 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.21 22.16 6.61 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HD2' ' CG ' ' A' ' 57' ' ' PHE . 2.0 ttmm -145.22 141.83 29.0 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -1.162 . . . . 0.0 109.552 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' A' ' 89' ' ' ALA . 2.5 mp -114.68 99.51 8.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.554 -0.716 . . . . 0.0 109.416 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.76 -164.47 3.4 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 108.132 -1.987 . . . . 0.0 108.132 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.777 HD13 ' CG ' ' A' ' 47' ' ' PHE . 11.1 mm -70.03 -77.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.015 -1.285 . . . . 0.0 110.467 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.4 t0 -39.94 -38.12 0.66 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 121.032 -1.042 . . . . 0.0 110.612 -177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.59 -42.62 74.2 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.802 -1.186 . . . . 0.0 108.229 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 1.029 ' O ' HG23 ' A' ' 106' ' ' VAL . 10.1 t80 -74.05 -54.17 8.41 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.608 -0.683 . . . . 0.0 111.523 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.779 ' OE1' HG12 ' A' ' 43' ' ' VAL . 24.0 mm-40 -69.96 -5.49 26.63 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.015 -1.053 . . . . 0.0 110.339 -178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.518 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.4 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -72.94 -32.57 65.35 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.235 -0.916 . . . . 0.0 109.259 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 102' ' ' PHE . 3.2 t -65.77 -40.55 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.363 -0.836 . . . . 0.0 109.391 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.771 ' NE2' HG11 ' A' ' 43' ' ' VAL . 40.0 m170 -72.38 -38.5 68.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.304 -0.872 . . . . 0.0 109.441 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 104' ' ' THR . 2.7 mt-10 -67.46 -18.88 65.25 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.365 -0.834 . . . . 0.0 109.245 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.412 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.705 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -122.58 -3.35 8.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.965 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.53 ' CB ' ' CE1' ' A' ' 70' ' ' PHE . . . -101.44 27.43 6.28 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -84.62 -31.71 24.1 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.584 -0.698 . . . . 0.0 109.381 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.6 -16.1 40.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tp -90.23 -40.22 12.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.159 -0.963 . . . . 0.0 110.048 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 2.6 pp -146.44 166.85 25.16 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.151 -0.968 . . . . 0.0 109.594 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.562 ' CA ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 162.96 40.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.37 -0.831 . . . . 0.0 110.056 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.44 ' N ' HD13 ' A' ' 11' ' ' ILE . . . -146.11 -132.86 0.07 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.284 . . . . 0.0 111.283 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 14.5 m-20 -58.76 -15.04 10.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.967 -1.083 . . . . 0.0 110.044 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.23 -34.48 65.91 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.912 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.65 ' N ' HD12 ' A' ' 11' ' ' ILE . 4.8 mp -90.89 -27.18 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.14 -0.975 . . . . 0.0 109.599 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -81.19 -21.91 39.28 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.405 -0.809 . . . . 0.0 110.103 -179.507 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 2.1 mttm -90.12 -40.07 12.47 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.107 -0.996 . . . . 0.0 109.241 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.735 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -63.51 -50.28 70.2 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.038 -1.039 . . . . 0.0 110.217 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.0 mt -67.98 -43.94 77.8 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.931 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 8.6 m-20 -63.23 -17.43 62.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.889 -1.132 . . . . 0.0 109.119 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.25 -23.07 24.84 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.783 HG12 ' O ' ' A' ' 23' ' ' SER . 3.6 m -142.06 40.73 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 119.264 -0.975 . . . . 0.0 110.746 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 2.3 ttpt -90.19 -4.45 57.24 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.604 -1.31 . . . . 0.0 112.163 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.513 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -67.47 -172.41 0.23 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.512 -1.367 . . . . 0.0 109.921 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -98.89 67.51 1.67 Allowed 'General case' 0 C--N 1.303 -1.424 0 CA-C-O 122.078 0.942 . . . . 0.0 109.876 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 81' ' ' GLU . . . 134.17 8.25 2.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.783 ' O ' HG12 ' A' ' 18' ' ' VAL . 31.5 p -91.44 0.88 57.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -1.066 . . . . 0.0 111.233 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CE2' ' CG ' ' A' ' 29' ' ' PHE . 13.7 t80 -90.93 136.56 32.99 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 120.437 -1.415 . . . . 0.0 111.179 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.584 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 1.8 m-20 -120.86 -87.37 0.64 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' O ' ' A' ' 25' ' ' ASN . 20.7 p-80 170.98 -28.33 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.539 ' HG3' ' NE2' ' A' ' 26' ' ' HIS . 13.7 mtpp -84.54 -51.64 6.73 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.888 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HG2' ' N ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -70.06 -24.47 63.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.101 -0.999 . . . . 0.0 110.189 -178.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.735 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 94.6 t80 -76.55 -64.89 1.01 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.159 -0.963 . . . . 0.0 109.706 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.521 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 67.6 m-85 -60.86 -34.07 74.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 110.202 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.532 ' HA ' ' HB2' ' A' ' 36' ' ' LYS . . . -64.88 -35.29 80.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.258 -0.901 . . . . 0.0 109.71 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -52.23 16.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.909 . . . . 0.0 109.919 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 2.0 p -51.96 -40.12 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 109.949 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 132.3 -24.78 3.93 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -36.69 -37.14 0.13 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.734 -0.862 . . . . 0.0 110.591 -179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -48.04 -56.47 7.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.133 -0.979 . . . . 0.0 109.885 -179.547 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.91 47.84 1.07 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.486 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 3.8 tpp -90.22 26.86 1.78 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.078 -1.014 . . . . 0.0 109.453 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.963 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.0 p 60.56 116.87 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.297 -0.877 . . . . 0.0 109.717 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -37.49 -25.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.515 -0.741 . . . . 0.0 111.614 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.5 t30 -73.79 -58.26 3.42 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.603 -1.311 . . . . 0.0 109.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.798 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.4 m-20 -71.38 -2.59 17.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.245 -0.909 . . . . 0.0 109.24 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 39' ' ' SER . 20.8 t -91.19 -44.4 14.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HG2' HG21 ' A' ' 99' ' ' ILE . 51.7 mtpt -65.35 -20.22 66.3 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -83.1 -31.11 27.44 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 42' ' ' ASP . 53.6 t -68.46 -40.29 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.6 t80 -65.75 -50.31 65.22 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -41.93 -30.01 0.24 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.117 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -82.72 -42.74 17.67 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.034 HG22 HG23 ' A' ' 58' ' ' ILE . 41.6 mm -53.58 -27.21 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.142 -0.974 . . . . 0.0 108.969 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.542 ' OD2' ' N ' ' A' ' 55' ' ' SER . 6.2 t70 -85.21 55.42 3.49 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 122.225 1.012 . . . . 0.0 108.488 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 62' ' ' GLU . . . -29.11 -47.94 0.06 Allowed 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' SER . 38.1 p30 -87.35 39.93 0.9 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.353 -1.467 . . . . 0.0 111.201 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 29.35 35.6 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.596 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 1.5 m -96.6 25.6 5.03 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.585 -1.322 . . . . 0.0 108.515 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.596 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 47.21 23.37 1.76 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 30.9 m-85 -145.07 142.17 29.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.365 -1.079 . . . . 0.0 110.743 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.034 HG23 HG22 ' A' ' 50' ' ' ILE . 10.6 mm -89.69 106.15 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -88.64 157.64 18.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.879 -1.138 . . . . 0.0 110.011 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -48.83 -51.53 29.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.458 -0.776 . . . . 0.0 109.849 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -56.1 -31.79 63.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.277 -0.89 . . . . 0.0 110.32 -179.321 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.636 ' CG ' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -74.08 -35.5 64.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.048 -1.033 . . . . 0.0 108.631 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 60' ' ' GLU . 28.9 mt -53.2 -44.98 68.41 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' HD13 ' A' ' 77' ' ' LEU . 9.2 tttp -60.19 -48.31 82.26 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 10.4 m-85 -90.42 37.44 0.91 Allowed 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.371 -0.831 . . . . 0.0 108.826 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.621 HG13 ' N ' ' A' ' 67' ' ' LEU . 9.9 p -56.61 -49.62 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.229 -0.919 . . . . 0.0 111.544 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.621 ' N ' HG13 ' A' ' 66' ' ' VAL . 34.9 mt -81.49 8.59 9.14 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.457 -1.402 . . . . 0.0 110.062 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -53.66 -43.93 69.24 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.439 179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -68.28 -28.99 67.68 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.669 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 5.7 m-30 -89.68 -0.67 57.68 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 70' ' ' PHE . . . 165.28 133.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.245 -0.91 . . . . 0.0 109.086 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.11 -54.26 38.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.027 . . . . 0.0 108.802 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.03 51.95 0.93 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.537 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -75.57 -69.97 1.33 Allowed Glycine 0 N--CA 1.489 2.169 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.281 -178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.598 ' HB2' HD12 ' A' ' 67' ' ' LEU . 45.1 tpt85 -83.66 -75.22 0.34 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.058 -1.26 . . . . 0.0 111.135 -178.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 9.6 t0 74.08 60.23 0.08 Allowed 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.562 HD23 ' N ' ' A' ' 82' ' ' THR . 8.0 mp -42.73 165.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.66 0.743 . . . . 0.0 110.759 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.661 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -92.46 -19.62 21.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.661 ' CB ' ' O ' ' A' ' 78' ' ' THR . 35.1 t0 121.55 -60.73 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 105.08 -2.193 . . . . 0.0 105.08 -177.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.43 73.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.464 ' OE2' ' NH2' ' A' ' 75' ' ' ARG . 24.2 mt-10 -62.1 -33.6 74.74 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 122.172 0.986 . . . . 0.0 108.852 178.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.562 ' N ' HD23 ' A' ' 77' ' ' LEU . 5.9 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -10.32 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -49.12 6.77 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -57.27 -47.3 81.77 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.341 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.523 HD13 ' CG ' ' A' ' 60' ' ' GLU . 4.7 tp -63.81 -43.95 94.72 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.552 -0.717 . . . . 0.0 110.292 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.75 1.71 16.45 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.064 -1.022 . . . . 0.0 110.345 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' O ' HD21 ' A' ' 105' ' ' LEU . . . -120.95 -13.38 8.62 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.18 -0.95 . . . . 0.0 108.857 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.09 9.46 11.17 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.421 -0.8 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 94' ' ' ASP . 25.0 t0 -126.94 73.29 1.4 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 0.2 OUTLIER -74.3 -23.67 59.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.29 -0.882 . . . . 0.0 109.611 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 34.4 p30 -85.53 -5.62 59.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 109.564 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.439 ' HA2' ' OD2' ' A' ' 90' ' ' ASP . . . 57.47 48.13 83.15 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' OD2' ' HB3' ' A' ' 96' ' ' LYS . 22.0 p-10 -120.68 16.93 11.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -1.151 . . . . 0.0 109.732 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 86' ' ' LEU . . . 47.18 31.13 5.95 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.497 ' HD2' ' CG ' ' A' ' 57' ' ' PHE . 7.1 ttpp -148.0 135.64 20.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -1.092 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.552 ' O ' HG12 ' A' ' 58' ' ' ILE . 3.2 mp -122.97 99.31 6.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.406 -0.809 . . . . 0.0 109.258 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.61 -164.32 6.38 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.772 HG21 ' HG2' ' A' ' 44' ' ' LYS . 5.7 mm -73.91 -71.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.188 -1.183 . . . . 0.0 109.874 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 99' ' ' ILE . 1.4 p30 -37.23 -35.86 0.12 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.914 -1.116 . . . . 0.0 110.613 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 99' ' ' ILE . 0.9 OUTLIER -73.15 -46.0 53.48 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CE2' HG21 ' A' ' 106' ' ' VAL . 47.9 t80 -68.76 -54.16 17.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.64 -0.663 . . . . 0.0 110.478 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 9.8 pt-20 -64.6 -11.48 35.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.759 -1.213 . . . . 0.0 110.627 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -85.98 -49.93 7.46 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.576 HD23 ' CD2' ' A' ' 26' ' ' HIS . 4.6 tp -69.72 -55.2 10.59 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.727 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.59 HG21 ' CE2' ' A' ' 102' ' ' PHE . 99.8 t -49.69 -37.73 12.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.726 -0.608 . . . . 0.0 109.706 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 7.6 m170 -70.48 -41.07 73.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.096 -1.003 . . . . 0.0 109.631 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -89.39 33.66 0.82 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.382 -0.824 . . . . 0.0 109.506 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.477 ' HA ' ' HG2' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.437 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.543 ' O ' ' HB3' ' A' ' 1' ' ' ALA . . . . . . . . 0 C--O 1.215 -0.757 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 0' ' ' ACE . . . 66.52 82.56 0.18 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.204 -0.935 . . . . 0.0 109.622 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' HB1' ' CZ ' ' A' ' 70' ' ' PHE . . . -111.37 16.45 20.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.261 -0.9 . . . . 0.0 109.218 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 4' ' ' ASP . 2.4 ptpt -90.05 -30.54 17.66 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.302 -0.874 . . . . 0.0 109.309 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.511 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 51.7 m-20 -87.76 -6.72 58.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.262 -0.898 . . . . 0.0 109.538 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.8 tt -91.81 5.23 50.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.155 -0.965 . . . . 0.0 109.681 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' CB ' HD11 ' A' ' 11' ' ' ILE . 3.7 mp -129.56 -166.87 1.72 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 109.522 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.72 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.9 mptp? -100.86 -4.19 28.31 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.629 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 83.95 -45.59 0.1 Allowed 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.334 0.588 . . . . 0.0 109.766 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -65.58 -32.88 74.71 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.325 -0.859 . . . . 0.0 109.723 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 5.5 m-20 -69.01 -28.64 66.77 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.957 -1.089 . . . . 0.0 108.642 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.9 mp -80.18 -19.22 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.481 -0.762 . . . . 0.0 109.089 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -87.57 -13.51 42.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.811 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -90.55 -50.92 5.66 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.058 -1.026 . . . . 0.0 108.356 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.623 ' HB1' ' CD2' ' A' ' 29' ' ' PHE . . . -64.01 -34.85 78.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.274 -0.891 . . . . 0.0 110.124 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -77.29 -33.41 55.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.285 -0.884 . . . . 0.0 109.547 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 3.5 m-20 -74.88 -20.58 59.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.309 -0.87 . . . . 0.0 110.189 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.08 -20.7 21.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.074 -1.016 . . . . 0.0 109.496 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 14' ' ' ALA . 33.3 m -108.57 -20.61 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.827 -1.17 . . . . 0.0 111.861 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -31.02 -31.66 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.742 -0.599 . . . . 0.0 112.022 -178.07 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.827 ' HB3' ' HB3' ' A' ' 23' ' ' SER . . . -47.9 170.8 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.738 -1.227 . . . . 0.0 109.136 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -97.59 71.07 2.27 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 119.144 -1.022 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.1 16.32 1.77 Allowed Glycine 0 N--CA 1.489 2.168 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.827 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 3.4 p -111.03 26.1 11.07 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.51 -0.994 . . . . 0.0 110.094 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 18.1 t80 -90.67 146.73 23.78 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.628 -1.295 . . . . 0.0 109.589 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.576 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -139.11 131.66 28.75 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.606 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 16.9 p-80 -68.52 -33.03 73.42 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.715 -1.241 . . . . 0.0 108.887 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -78.15 -50.73 11.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.486 -0.759 . . . . 0.0 110.575 -179.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.67 -48.76 71.02 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.086 -1.009 . . . . 0.0 110.023 -179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 38.6 t80 -54.08 -70.27 0.1 Allowed 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.459 -0.775 . . . . 0.0 110.269 -179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -56.55 -32.65 65.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.489 -0.757 . . . . 0.0 110.502 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -56.72 -53.58 56.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.104 -0.997 . . . . 0.0 109.488 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -37.02 85.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 109.949 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' PHE . 71.7 t -47.08 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' LYS . . . 144.87 -35.88 1.46 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.775 ' CD2' HG11 ' A' ' 46' ' ' VAL . 32.2 tp -40.96 -27.08 0.05 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.535 -0.98 . . . . 0.0 110.399 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.516 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.5 OUTLIER -43.52 -63.74 0.78 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.129 -0.982 . . . . 0.0 110.093 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.06 45.41 0.96 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.106 -0.996 . . . . 0.0 110.102 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.502 ' HB2' ' HA ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -80.61 -69.73 0.58 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.022 -1.049 . . . . 0.0 109.374 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.882 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.2 p 175.46 112.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.271 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.81 -30.2 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.747 -0.596 . . . . 0.0 111.434 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.9 t30 -76.62 -59.07 2.93 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.816 -1.178 . . . . 0.0 109.969 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.468 ' HB2' ' OG ' ' A' ' 39' ' ' SER . 51.6 m-20 -70.31 -3.1 15.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.035 -1.041 . . . . 0.0 109.637 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 39' ' ' SER . 44.4 t -90.55 -43.61 14.51 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -61.63 -23.98 66.41 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -78.27 -32.09 49.4 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.775 HG11 ' CD2' ' A' ' 35' ' ' LEU . 25.6 t -64.43 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -64.42 -50.47 67.46 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -42.46 -28.72 0.23 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.21 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' PHE . . . -86.47 -40.39 15.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.433 -0.792 . . . . 0.0 109.196 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.891 HG22 HG23 ' A' ' 58' ' ' ILE . 42.2 mm -51.16 -36.74 16.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.78 66.42 9.62 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.35 53.31 0.83 Allowed 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.794 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -150.89 -90.2 0.06 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 178.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 169.05 57.61 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.198 -0.939 . . . . 0.0 111.366 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.615 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 91.4 p -146.24 33.22 0.99 Allowed 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.722 -1.236 . . . . 0.0 109.515 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 30.5 36.52 0.02 OUTLIER Glycine 0 N--CA 1.5 2.924 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.615 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.3 m-85 -149.8 144.17 25.84 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.183 -1.186 . . . . 0.0 110.687 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.891 HG23 HG22 ' A' ' 50' ' ' ILE . 9.3 mm -90.21 107.08 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 176.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.68 162.51 16.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.823 -1.173 . . . . 0.0 110.481 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -48.95 -37.43 20.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.498 -0.752 . . . . 0.0 109.747 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 5.9 pt-20 -64.12 -36.4 83.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 110.357 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 66' ' ' VAL . 57.8 mm-40 -71.62 -29.03 64.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.054 -1.029 . . . . 0.0 108.241 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 63' ' ' LEU . 20.1 mt -65.68 -34.88 79.23 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.759 ' O ' HD23 ' A' ' 77' ' ' LEU . 35.4 tttp -68.15 -49.13 62.98 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.239 -0.913 . . . . 0.0 109.361 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' LEU . 15.8 m-85 -98.24 12.78 33.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.235 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 p -37.91 -27.22 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.549 -0.72 . . . . 0.0 111.122 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -100.59 42.17 1.13 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.712 -1.242 . . . . 0.0 109.403 -179.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HG3' ' HA ' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -100.24 -27.11 13.67 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.2 m -78.23 -24.89 46.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 19.1 m-85 -90.65 -11.55 39.49 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB3' ' HA3' ' A' ' 74' ' ' GLY . . . -178.77 111.79 0.06 Allowed 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 71' ' ' ALA . . . -39.35 -38.08 0.51 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.421 -0.8 . . . . 0.0 109.663 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -138.01 58.47 1.68 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' A' ' 71' ' ' ALA . . . -88.69 -88.44 1.19 Allowed Glycine 0 N--CA 1.484 1.864 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 81' ' ' GLU . 27.9 tpt85 -91.63 112.16 23.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.525 -0.985 . . . . 0.0 110.18 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.49 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 30.2 t70 -96.46 112.55 24.25 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 64' ' ' LYS . 2.6 mm? -54.86 142.64 28.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.101 -0.999 . . . . 0.0 109.757 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.657 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -91.72 -20.87 21.1 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.27 -0.893 . . . . 0.0 110.147 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.657 ' CB ' ' O ' ' A' ' 78' ' ' THR . 17.3 t70 124.97 -61.62 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.17 84.05 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.574 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . 51.1 mt-10 -64.04 -25.24 68.02 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 121.924 0.868 . . . . 0.0 109.522 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.698 ' N ' HD12 ' A' ' 77' ' ' LEU . 10.2 m -84.6 -23.17 29.7 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.2 OUTLIER -80.49 -12.2 59.57 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.64 -50.41 6.09 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.439 ' CG ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -57.13 -47.09 81.97 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.327 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.04 -40.67 91.17 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.478 -0.764 . . . . 0.0 110.266 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -78.33 2.81 17.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.103 -0.998 . . . . 0.0 110.194 -179.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.519 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -120.24 -17.38 8.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.135 -0.978 . . . . 0.0 108.994 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB1' HG12 ' A' ' 97' ' ' ILE . . . -100.53 -24.41 14.47 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.338 -0.851 . . . . 0.0 109.791 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 1.6 t70 -93.92 179.01 5.48 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.069 -1.02 . . . . 0.0 109.468 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 176.08 -52.78 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.659 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 92' ' ' ASP . 35.5 p-10 -63.51 -11.6 25.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.903 . . . . 0.0 109.5 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.14 27.13 45.99 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -95.53 -12.12 26.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.225 -1.162 . . . . 0.0 110.025 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.31 23.82 68.57 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -147.21 133.84 19.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -1.104 . . . . 0.0 109.072 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.703 HG12 ' HB1' ' A' ' 89' ' ' ALA . 4.3 mp -107.65 97.16 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.68 -157.77 1.76 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 108.689 -1.764 . . . . 0.0 108.689 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.686 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.7 mm -74.34 -74.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.98 -1.306 . . . . 0.0 110.006 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -39.11 -35.6 0.24 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.918 -1.114 . . . . 0.0 110.358 -178.349 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.03 -44.79 62.83 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.75 ' O ' HG23 ' A' ' 106' ' ' VAL . 60.1 t80 -71.23 -54.61 10.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.644 -0.66 . . . . 0.0 111.045 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 100' ' ' ASP . 10.9 pt-20 -59.31 -23.02 62.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.776 -1.202 . . . . 0.0 109.679 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.521 ' O ' ' CG ' ' A' ' 108' ' ' GLU . 1.3 m -79.8 -29.07 40.19 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.519 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 1.9 mm? -79.34 -33.91 42.62 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 102' ' ' PHE . 1.4 t -76.51 -44.64 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.703 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 6.5 m80 -60.29 -33.69 72.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.102 -0.999 . . . . 0.0 108.885 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 104' ' ' THR . 6.1 mm-40 -77.36 -35.64 54.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.366 -0.833 . . . . 0.0 109.352 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.418 ' OXT' ' HG3' ' A' ' 36' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.422 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.511 ' H2 ' ' OG ' ' A' ' 69' ' ' SER . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 0' ' ' ACE . . . 43.55 59.74 2.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.287 -0.883 . . . . 0.0 109.501 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.534 ' O ' HD23 ' A' ' 6' ' ' LEU . . . -111.31 15.66 21.29 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.203 -0.935 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -90.28 -29.58 18.05 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.257 -0.902 . . . . 0.0 109.465 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.1 -15.39 62.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.577 ' C ' HD22 ' A' ' 6' ' ' LEU . 2.4 tt -94.41 7.71 44.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.577 HD22 ' C ' ' A' ' 5' ' ' LEU . 4.0 mm? -117.49 -171.19 2.0 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.222 -0.924 . . . . 0.0 109.618 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -104.51 0.76 29.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.284 -0.885 . . . . 0.0 109.681 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 84.4 -60.55 0.1 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 0.0 109.424 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 64.7 m-20 -61.58 -23.93 66.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.48 -0.762 . . . . 0.0 109.545 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 5.1 m-20 -72.53 -27.54 62.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.045 -1.034 . . . . 0.0 108.96 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' ALA . 5.1 mt -79.67 -29.2 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.369 -0.832 . . . . 0.0 109.296 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 15.1 ptpt -86.22 -8.67 57.61 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.361 -0.837 . . . . 0.0 109.735 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -89.26 -49.09 6.93 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.511 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -67.12 -49.29 65.39 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.355 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.72 HD22 ' CE1' ' A' ' 29' ' ' PHE . 3.2 mm? -60.78 -34.84 75.09 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.451 -0.781 . . . . 0.0 109.232 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 6.5 m-20 -70.92 -20.97 62.42 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.139 -0.975 . . . . 0.0 109.899 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.98 -22.19 20.94 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.254 -0.904 . . . . 0.0 109.62 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' ' 24' ' ' PHE . 33.2 m -103.4 -23.32 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 118.782 -1.167 . . . . 0.0 112.058 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HA ' ' HD2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -33.61 -29.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.613 -0.68 . . . . 0.0 111.601 -178.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.966 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -48.58 174.7 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.89 -1.131 . . . . 0.0 109.104 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -97.95 70.24 2.12 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.136 -1.026 . . . . 0.0 109.68 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.86 18.14 2.68 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.966 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 93.1 p -101.95 14.66 31.34 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.531 -0.982 . . . . 0.0 111.049 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.57 ' HA ' HG12 ' A' ' 18' ' ' VAL . 34.0 t80 -81.59 134.37 35.49 Favored 'General case' 0 C--N 1.307 -1.244 0 O-C-N 120.531 -1.356 . . . . 0.0 109.858 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -133.85 99.61 4.5 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.911 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 19.7 p-80 -37.05 -29.43 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 110.669 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.652 ' O ' ' HB1' ' A' ' 109' ' ' ALA . 2.9 mtpm? -76.86 -56.64 4.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.21 -0.931 . . . . 0.0 110.892 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 6.2 mmpt? -66.82 -49.71 64.91 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.097 -1.002 . . . . 0.0 110.112 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.72 ' CE1' HD22 ' A' ' 15' ' ' LEU . 72.0 t80 -48.7 -63.89 0.96 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 110.228 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.96 -32.67 74.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.465 -0.772 . . . . 0.0 110.794 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -34.98 76.47 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.134 -0.979 . . . . 0.0 109.873 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mt -80.42 -52.62 7.44 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 0.0 110.414 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.605 HG13 ' H ' ' A' ' 35' ' ' LEU . 1.6 p -47.32 -42.69 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.005 -1.059 . . . . 0.0 110.305 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 130.73 -23.51 4.45 Favored Glycine 0 N--CA 1.492 2.391 0 O-C-N 120.543 -1.348 . . . . 0.0 110.104 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -42.55 -31.1 0.4 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -1.148 . . . . 0.0 110.17 -179.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -57.61 -50.84 71.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.211 -0.93 . . . . 0.0 110.025 -179.39 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.44 23.55 8.36 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.9 -1.125 . . . . 0.0 110.769 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -176.87 2.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.886 -1.133 . . . . 0.0 109.177 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.773 ' O ' HG23 ' A' ' 43' ' ' VAL . 86.5 p -97.92 122.13 40.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.165 -0.959 . . . . 0.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -35.43 -29.29 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.708 -0.62 . . . . 0.0 111.394 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -73.01 -56.79 4.64 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.738 -1.226 . . . . 0.0 108.031 -179.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.853 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -72.69 0.74 9.9 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.965 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.908 HG21 ' CE1' ' A' ' 107' ' ' HIS . 58.8 t -92.34 -47.33 14.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' CD ' HG21 ' A' ' 99' ' ' ILE . 8.4 mtmm -65.44 -21.82 66.7 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 106.32 -1.734 . . . . 0.0 106.32 177.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.5 -31.58 37.18 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 42' ' ' ASP . 33.1 t -66.04 -38.53 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 2.4 t80 -65.92 -51.69 56.41 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.067 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.492 ' HE3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -44.88 -29.09 0.74 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 179.404 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -81.4 -41.98 21.1 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.919 HG22 HG23 ' A' ' 58' ' ' ILE . 44.4 mm -50.71 -32.78 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 57' ' ' PHE . 16.3 t70 -79.43 74.81 6.04 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.52 50.61 0.82 Allowed 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.035 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -151.54 -94.53 0.06 Allowed 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 173.98 56.9 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.178 -0.951 . . . . 0.0 110.644 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 5.0 p -147.32 35.14 0.88 Allowed 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.034 -1.041 . . . . 0.0 109.21 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 31.91 35.56 0.02 OUTLIER Glycine 0 N--CA 1.498 2.789 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 m-85 -148.11 148.97 31.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -1.141 . . . . 0.0 110.754 -178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.919 HG23 HG22 ' A' ' 50' ' ' ILE . 7.9 mm -89.79 111.53 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 177.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -88.59 153.45 21.12 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.908 -1.12 . . . . 0.0 109.781 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.4 mt-10 -51.88 -47.08 64.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 0.0 109.805 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -60.23 -29.07 68.51 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 110.248 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 66' ' ' VAL . 21.8 mm-40 -75.16 -35.96 61.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.063 -1.023 . . . . 0.0 108.619 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.583 ' O ' HG12 ' A' ' 66' ' ' VAL . 37.1 mt -55.43 -40.75 71.92 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.251 0.548 . . . . 0.0 109.962 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -49.09 59.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 110.038 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -89.34 21.72 3.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.92 . . . . 0.0 109.572 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 63' ' ' LEU . 6.7 p -78.72 22.89 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.088 -1.007 . . . . 0.0 111.194 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 75' ' ' ARG . 68.0 mt -122.27 16.92 10.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.497 -1.377 . . . . 0.0 109.854 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.86 -32.65 18.88 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.041 . . . . 0.0 108.737 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.511 ' OG ' ' H2 ' ' A' ' 0' ' ' ACE . 62.4 m -85.39 -23.07 28.1 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.418 ' O ' HG21 ' A' ' 11' ' ' ILE . 5.9 m-85 -99.24 -19.55 17.04 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 67' ' ' LEU . . . -144.83 119.04 9.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.58 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.322 -0.862 . . . . 0.0 111.057 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -89.55 -32.52 17.11 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.767 -1.208 . . . . 0.0 109.983 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.18 79.5 0.53 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.543 ' HB3' HD13 ' A' ' 67' ' ' LEU . 2.7 ttp85 -57.82 90.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.419 -1.048 . . . . 0.0 110.009 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -48.07 128.86 14.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.981 -1.074 . . . . 0.0 108.855 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 82' ' ' THR . 5.8 mp -65.35 176.53 1.36 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.645 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 1.2 m -95.38 -6.32 41.27 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.315 -0.866 . . . . 0.0 109.671 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.645 ' CB ' ' O ' ' A' ' 78' ' ' THR . 25.9 t0 105.02 -61.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 -177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.14 73.85 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.593 ' C ' HD23 ' A' ' 77' ' ' LEU . 84.2 mt-10 -63.54 -31.5 72.68 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-O 121.975 0.893 . . . . 0.0 109.063 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.627 ' N ' HD23 ' A' ' 77' ' ' LEU . 4.4 m -78.83 -25.46 44.12 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -84.58 -6.98 59.4 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.755 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.4 -47.51 7.69 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -49.34 72.64 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.92 -41.51 95.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.472 -0.768 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -79.62 6.01 11.7 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.871 -1.143 . . . . 0.0 110.291 -179.271 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.911 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -116.67 -23.07 8.33 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.967 -1.083 . . . . 0.0 108.804 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 97' ' ' ILE . . . -119.79 14.16 12.48 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.464 -0.773 . . . . 0.0 109.385 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.513 ' HB2' HD11 ' A' ' 97' ' ' ILE . 10.1 t0 -138.74 83.2 1.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.405 -0.809 . . . . 0.0 109.33 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.13 59.3 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.25 -0.906 . . . . 0.0 109.683 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 94' ' ' ASP . 2.6 p30 -76.54 -12.21 59.99 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.218 -0.926 . . . . 0.0 109.628 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.05 59.13 10.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.482 ' OD2' ' HB2' ' A' ' 96' ' ' LYS . 15.6 p-10 -112.86 10.28 19.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.184 -1.186 . . . . 0.0 109.898 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.455 ' HA3' ' OE2' ' A' ' 60' ' ' GLU . . . 56.63 27.23 54.58 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.482 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 9.6 mttt -150.33 115.64 5.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.017 -1.284 . . . . 0.0 109.532 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 89' ' ' ALA . 22.7 mm -99.25 105.92 18.17 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.466 -0.771 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.64 -169.73 33.6 Favored Glycine 0 N--CA 1.485 1.935 0 N-CA-C 109.047 -1.621 . . . . 0.0 109.047 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 13.0 mm -69.32 -73.56 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.201 -1.176 . . . . 0.0 110.495 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 104' ' ' THR . 3.8 m-20 -37.83 -38.49 0.3 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.038 -1.039 . . . . 0.0 110.558 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -46.81 70.13 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.932 -1.105 . . . . 0.0 108.022 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 50' ' ' ILE . 36.7 t80 -68.05 -55.8 11.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.819 -0.551 . . . . 0.0 111.492 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.552 ' HG3' ' ND1' ' A' ' 107' ' ' HIS . 27.1 tt0 -66.64 -8.5 27.9 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.572 -1.33 . . . . 0.0 110.195 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.557 HG22 HD22 ' A' ' 105' ' ' LEU . 2.6 m -90.69 -49.51 6.43 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.139 -0.976 . . . . 0.0 108.582 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.557 HD22 HG22 ' A' ' 104' ' ' THR . 3.6 mm? -80.5 -12.58 59.52 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.238 -0.914 . . . . 0.0 109.936 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 102' ' ' PHE . 60.8 t -90.28 -35.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.246 -0.909 . . . . 0.0 109.22 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.908 ' CE1' HG21 ' A' ' 43' ' ' VAL . 12.5 m170 -81.58 -32.7 32.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.336 -0.853 . . . . 0.0 109.404 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' O ' ' OXT' ' A' ' 109' ' ' ALA . 7.1 mm-40 -94.94 37.74 1.14 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.233 -0.917 . . . . 0.0 109.476 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.471 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.78 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -125.6 -46.85 1.72 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.18 8.06 44.1 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.289 -0.882 . . . . 0.0 108.788 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -75.71 -34.37 60.36 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 121.322 -0.861 . . . . 0.0 108.946 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -88.61 -2.93 58.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.39 -0.819 . . . . 0.0 109.437 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -100.11 8.51 43.86 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.103 -0.998 . . . . 0.0 110.076 -179.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' CB ' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -130.13 -167.74 1.86 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.997 -1.065 . . . . 0.0 109.75 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.722 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 tttm -86.46 -12.34 49.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 0.0 109.375 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 84.15 -62.85 0.09 Allowed 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.437 0.637 . . . . 0.0 109.737 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -62.92 -32.24 73.49 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.386 -0.821 . . . . 0.0 110.026 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.503 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 40.4 m-20 -63.93 -33.42 75.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.925 -1.11 . . . . 0.0 108.97 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.625 HG21 ' HB3' ' A' ' 70' ' ' PHE . 3.9 mt -74.43 -31.11 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 1.2 mttp -75.99 -8.7 57.56 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 0.0 109.146 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -45.7 11.2 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.858 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -70.1 -48.5 57.39 Favored 'General case' 0 C--N 1.308 -1.212 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.298 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.624 HD13 HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -59.3 -32.05 69.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.064 179.383 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 21.3 m-20 -77.04 -23.56 52.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.318 -0.864 . . . . 0.0 110.118 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.51 -17.59 25.44 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 120.981 -1.075 . . . . 0.0 109.383 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 14' ' ' ALA . 31.4 m -110.53 -20.95 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.871 -1.143 . . . . 0.0 111.32 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -35.74 -28.38 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.388 -0.82 . . . . 0.0 111.178 -178.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.941 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -45.56 173.33 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.09 -1.006 . . . . 0.0 109.854 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.66 70.47 3.02 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.325 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.91 15.02 3.25 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.941 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 88.8 p -98.53 9.6 42.83 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.491 -1.005 . . . . 0.0 111.24 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 20.5 t80 -92.19 134.99 34.35 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 120.469 -1.394 . . . . 0.0 110.097 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -116.22 -91.32 0.53 Allowed 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.112 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.593 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 16.7 p-80 173.01 -31.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.691 ' CG ' ' HB1' ' A' ' 109' ' ' ALA . 3.6 mtmp? -82.69 -51.29 7.86 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.388 -0.82 . . . . 0.0 110.313 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -68.69 -31.89 71.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.944 -179.002 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 80.9 t80 -68.59 -68.15 0.42 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.097 -1.002 . . . . 0.0 109.478 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.43 ' HE2' ' CE2' ' A' ' 85' ' ' PHE . 29.1 m-85 -53.26 -29.93 35.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.491 -0.756 . . . . 0.0 110.248 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.94 64.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.156 -0.965 . . . . 0.0 109.766 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.3 mt -74.44 -1.9 23.15 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.157 -0.964 . . . . 0.0 110.353 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 29' ' ' PHE . 89.7 t -84.13 -61.37 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.868 -1.145 . . . . 0.0 109.887 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.75 -35.03 1.12 Allowed Glycine 0 N--CA 1.49 2.234 0 C-N-CA 119.56 -1.305 . . . . 0.0 109.949 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.799 ' H ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -61.6 -9.79 6.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.041 -1.27 . . . . 0.0 110.637 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.5 -22.15 7.58 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.904 -1.123 . . . . 0.0 109.197 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.57 58.84 0.27 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.278 -0.889 . . . . 0.0 109.641 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.424 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -88.1 -64.71 1.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.223 -0.923 . . . . 0.0 109.299 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.85 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.2 p 170.37 122.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 109.547 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 39' ' ' SER . . . -34.13 -33.21 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.715 -0.616 . . . . 0.0 111.146 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.0 t30 -75.6 -52.03 11.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.947 -1.096 . . . . 0.0 109.549 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.825 ' O ' HG23 ' A' ' 46' ' ' VAL . 1.1 m-20 -74.22 -0.79 17.98 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.186 -0.946 . . . . 0.0 109.087 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 39' ' ' SER . 48.8 t -92.06 -45.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.439 ' HD2' HG21 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -63.99 -21.77 66.64 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 177.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.54 -29.87 37.15 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 42' ' ' ASP . 62.4 t -70.44 -47.5 65.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.719 ' CG ' HD13 ' A' ' 99' ' ' ILE . 2.2 t80 -60.55 -50.86 71.87 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -47.58 -28.58 2.36 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -80.4 -38.7 29.78 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.71 HD12 HG23 ' A' ' 66' ' ' VAL . 25.4 mm -58.87 -32.12 46.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.542 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 27.4 t0 -51.49 85.99 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 121.874 0.845 . . . . 0.0 109.111 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 50' ' ' ILE . . . -66.98 -54.46 21.59 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.909 -0.495 . . . . 0.0 111.671 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' OD2' ' OE1' ' A' ' 59' ' ' GLU . 2.2 p30 -89.0 26.89 1.45 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.67 -1.269 . . . . 0.0 110.64 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.542 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 48.01 35.91 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.273 -0.892 . . . . 0.0 111.425 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -107.94 30.13 6.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.572 -1.33 . . . . 0.0 108.804 179.141 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 41.53 37.73 1.92 Allowed Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' SER . 27.7 m-85 -150.47 145.76 26.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.357 -1.084 . . . . 0.0 110.023 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.671 HG23 HG22 ' A' ' 50' ' ' ILE . 1.8 mm -101.06 96.25 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' OE1' ' OD2' ' A' ' 53' ' ' ASP . 3.3 mt-10 -89.54 171.74 9.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.167 -0.958 . . . . 0.0 110.531 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.813 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -54.45 -41.2 69.17 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.669 -0.645 . . . . 0.0 110.336 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -62.82 -27.94 69.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.069 -1.019 . . . . 0.0 109.967 -179.409 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.505 ' OE1' ' HA ' ' A' ' 58' ' ' ILE . 15.6 mt-10 -76.2 -46.79 26.7 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.966 ' O ' HG12 ' A' ' 66' ' ' VAL . 88.8 mt -44.66 -43.14 8.09 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HB2' ' OG1' ' A' ' 82' ' ' THR . 16.0 tttt -69.99 -38.82 76.1 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.0 108.856 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -94.9 20.25 9.12 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.311 -0.868 . . . . 0.0 109.619 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.966 HG12 ' O ' ' A' ' 63' ' ' LEU . 10.0 p -86.26 44.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.146 -0.971 . . . . 0.0 108.558 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -132.78 -56.44 0.94 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.648 -0.657 . . . . 0.0 109.874 -179.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -34.64 -32.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.504 -0.747 . . . . 0.0 110.967 -179.348 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.4 m -43.23 -51.17 6.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.151 -0.968 . . . . 0.0 109.591 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.625 ' HB3' HG21 ' A' ' 11' ' ' ILE . 5.8 m-85 -88.04 -31.04 19.5 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.286 -0.884 . . . . 0.0 109.955 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' A' ' 68' ' ' LYS . . . -145.57 103.86 3.84 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.73 -1.231 . . . . 0.0 110.648 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.613 ' O ' ' HG3' ' A' ' 68' ' ' LYS . . . -39.59 -35.14 0.28 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.395 -0.816 . . . . 0.0 110.418 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -139.15 58.3 1.64 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.56 -90.88 1.4 Allowed Glycine 0 N--CA 1.479 1.562 0 C-N-CA 120.091 -1.052 . . . . 0.0 110.643 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -92.32 -68.58 0.79 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.478 -1.013 . . . . 0.0 111.302 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 33.3 t0 80.04 95.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 63' ' ' LEU . 24.6 mt -66.82 157.3 33.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 110.729 -178.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.528 HG23 ' OE1' ' A' ' 81' ' ' GLU . 1.3 p -104.77 173.2 6.41 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -48.5 -46.39 38.25 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 121.513 -0.742 . . . . 0.0 110.507 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.56 85.39 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.932 -1.105 . . . . 0.0 109.381 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.528 ' OE1' HG23 ' A' ' 78' ' ' THR . 8.9 mt-10 -57.19 -30.34 64.45 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 122.101 0.953 . . . . 0.0 109.948 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.459 ' OG1' ' HB2' ' A' ' 64' ' ' LYS . 10.1 m -86.63 -22.33 26.24 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.334 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.483 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 0.1 OUTLIER -77.65 -14.1 59.72 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.28 -49.52 6.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -58.86 -44.2 91.0 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.511 0.672 . . . . 0.0 109.194 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.813 HD13 ' CG ' ' A' ' 60' ' ' GLU . 21.2 tp -64.29 -46.06 85.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.655 -0.653 . . . . 0.0 111.196 -178.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.483 ' CD ' ' O ' ' A' ' 83' ' ' LYS . 20.7 ptmt -78.8 -12.32 60.02 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.82 -1.175 . . . . 0.0 111.015 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -109.85 -6.39 15.25 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.847 -1.158 . . . . 0.0 108.85 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' PHE . . . -101.11 -31.07 11.23 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.344 -0.848 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 92' ' ' ASP . 3.3 t0 -98.9 118.53 35.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.118 -0.989 . . . . 0.0 109.137 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -79.12 -44.52 21.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.129 -0.982 . . . . 0.0 109.656 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 90' ' ' ASP . 43.6 p-10 -92.02 3.71 54.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.286 -0.884 . . . . 0.0 109.302 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.31 56.02 11.59 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.491 ' OD2' ' HG2' ' A' ' 96' ' ' LYS . 7.9 p-10 -89.09 -28.84 19.83 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.343 -1.092 . . . . 0.0 109.193 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.26 -5.45 13.33 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.697 -1.24 . . . . 0.0 110.86 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.491 ' HG2' ' OD2' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -149.99 137.24 19.68 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.698 -1.472 . . . . 0.0 110.774 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.561 ' O ' HG12 ' A' ' 58' ' ' ILE . 36.2 mm -102.73 100.19 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.17 -168.07 5.53 Favored Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.719 HD13 ' CG ' ' A' ' 47' ' ' PHE . 6.9 mm -71.38 -69.29 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.241 -1.152 . . . . 0.0 110.018 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 99' ' ' ILE . 12.8 t0 -39.15 -35.72 0.26 Allowed 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.899 -1.126 . . . . 0.0 110.713 -178.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.403 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -75.82 -41.55 52.35 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.802 -1.186 . . . . 0.0 108.057 178.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 106' ' ' VAL . 38.0 t80 -70.35 -54.1 13.9 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.564 -0.71 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -59.91 -27.98 67.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.334 -1.479 . . . . 0.0 109.25 -179.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 2.3 m -79.57 -24.65 41.93 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' VAL . 2.3 tt -82.66 -66.59 0.87 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.637 HG12 HD23 ' A' ' 35' ' ' LEU . 2.7 t -40.78 -41.6 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.632 -0.667 . . . . 0.0 109.415 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -66.23 -71.06 0.21 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.166 -0.959 . . . . 0.0 109.28 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.72 -70.7 0.11 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 109.321 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.691 ' HB1' ' CG ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.424 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.867 ' H1 ' ' CB ' ' A' ' 69' ' ' SER . . . . . . . . 0 C--O 1.215 -0.721 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 0' ' ' ACE . . . 179.0 35.88 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.16 -0.963 . . . . 0.0 109.624 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.487 ' O ' ' HD3' ' A' ' 7' ' ' LYS . . . -104.1 12.78 33.57 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.227 -0.921 . . . . 0.0 108.871 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.558 ' CG ' ' HG2' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -75.25 -16.7 60.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.533 -0.729 . . . . 0.0 110.267 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -80.79 -25.51 37.82 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.053 -1.029 . . . . 0.0 111.081 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.615 ' HB3' HD23 ' A' ' 6' ' ' LEU . 14.9 tp -89.04 -45.06 9.93 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 120.888 -1.132 . . . . 0.0 109.105 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.676 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 1.5 pt? -153.08 -164.22 1.88 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.396 -0.815 . . . . 0.0 109.274 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.676 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 1.9 mptt 133.21 58.23 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.415 0 C-N-CA 123.287 0.635 . . . . 0.0 109.657 178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.417 ' H ' HD13 ' A' ' 11' ' ' ILE . . . -147.87 -110.24 0.08 Allowed 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.08 -1.013 . . . . 0.0 110.424 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.43 -22.92 66.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.848 -1.158 . . . . 0.0 110.19 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.466 ' C ' HD12 ' A' ' 11' ' ' ILE . 12.5 m-20 -75.39 -27.72 59.2 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.977 -1.077 . . . . 0.0 109.191 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.805 ' N ' HD12 ' A' ' 11' ' ' ILE . 1.5 mp -91.15 -15.17 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.357 -0.839 . . . . 0.0 109.435 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 2.1 mmtp -81.64 -29.29 33.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -87.51 -42.15 12.97 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.232 -0.917 . . . . 0.0 108.617 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.76 ' HB1' ' CE1' ' A' ' 29' ' ' PHE . . . -64.73 -54.19 35.35 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.295 -0.878 . . . . 0.0 110.236 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 67' ' ' LEU . 12.5 mt -60.86 -40.73 94.0 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.0 109.63 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.457 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 16.9 m-20 -65.03 -21.18 66.8 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 108.876 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.26 -19.11 30.42 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.584 ' CG1' ' HA ' ' A' ' 24' ' ' PHE . 27.7 m -139.55 37.06 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 O-C-N 121.341 -0.849 . . . . 0.0 111.281 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -82.37 -11.83 58.33 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.341 -1.475 . . . . 0.0 111.673 -178.438 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.683 ' HB3' ' CB ' ' A' ' 23' ' ' SER . . . -70.13 176.39 3.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.703 -1.248 . . . . 0.0 110.172 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -95.81 71.69 3.01 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 122.186 0.993 . . . . 0.0 109.017 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.544 ' HA2' ' CG ' ' A' ' 81' ' ' GLU . . . 130.8 17.05 1.55 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 108.982 -1.647 . . . . 0.0 108.982 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.683 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 88.9 p -108.9 27.31 9.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.516 -0.991 . . . . 0.0 110.193 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.584 ' HA ' ' CG1' ' A' ' 18' ' ' VAL . 28.1 t80 -89.31 143.77 26.58 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 120.666 -1.271 . . . . 0.0 110.928 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.541 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 59.1 m-80 -135.89 121.5 19.55 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 16.1 p-80 -64.26 -29.53 70.62 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.706 -1.246 . . . . 0.0 110.083 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.848 ' HA ' ' HB1' ' A' ' 109' ' ' ALA . 7.9 mtpt -80.65 -56.71 3.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.222 -0.924 . . . . 0.0 111.315 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -67.48 -41.88 83.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.879 -1.138 . . . . 0.0 109.799 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.76 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 75.5 t80 -55.64 -62.59 1.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.432 -0.793 . . . . 0.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -64.34 -37.04 86.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.326 -0.859 . . . . 0.0 110.39 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.98 -42.69 63.15 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.104 -0.997 . . . . 0.0 108.684 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' VAL . 12.7 mt -72.23 -51.06 22.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.48 -0.763 . . . . 0.0 109.482 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 29' ' ' PHE . 60.9 t -40.39 -57.93 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.443 -0.785 . . . . 0.0 109.838 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.83 -20.03 5.47 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.746 HD22 HG11 ' A' ' 46' ' ' VAL . 30.7 tp -60.31 -11.6 6.93 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.128 -1.219 . . . . 0.0 110.514 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' CE ' ' O ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -75.16 1.14 14.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.903 -1.123 . . . . 0.0 109.984 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HB2' ' HE2' ' A' ' 36' ' ' LYS . . . -168.07 45.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.254 -0.904 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.67 -57.47 2.37 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.279 -0.888 . . . . 0.0 109.596 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.792 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER 165.96 116.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.664 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' CB ' ' OE2' ' A' ' 103' ' ' GLU . . . -35.45 -29.78 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.711 -0.618 . . . . 0.0 111.164 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 39' ' ' SER . 3.6 t30 -74.66 -53.34 9.48 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.797 -1.189 . . . . 0.0 109.129 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 46' ' ' VAL . 14.5 m-20 -72.59 -1.37 15.81 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.285 -0.884 . . . . 0.0 109.196 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 39' ' ' SER . 42.2 t -92.56 -45.44 14.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -22.83 66.35 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -30.86 48.2 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.746 HG11 HD22 ' A' ' 35' ' ' LEU . 6.5 t -69.38 -46.38 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 C-N-CA 118.491 -1.283 . . . . 0.0 108.041 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 58' ' ' ILE . 2.1 t80 -59.4 -52.37 65.9 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.385 0.612 . . . . 0.0 109.48 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -47.95 -26.18 1.64 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 179.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 46' ' ' VAL . . . -87.84 -34.78 18.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.583 -0.698 . . . . 0.0 109.677 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.596 ' CG2' ' CG1' ' A' ' 58' ' ' ILE . 22.1 mm -54.17 -36.86 33.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 178.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 5.3 t0 -73.81 76.76 1.6 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.845 ' HB3' ' OE1' ' A' ' 62' ' ' GLU . . . -79.43 49.76 1.03 Allowed 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 121.075 0.464 . . . . 0.0 111.166 -178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -151.39 -92.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 53' ' ' ASP . . . 175.09 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.201 -0.937 . . . . 0.0 110.675 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.5 p -143.28 32.86 1.33 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.793 -1.192 . . . . 0.0 109.525 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 35.33 31.34 0.02 OUTLIER Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.625 ' C ' HD12 ' A' ' 58' ' ' ILE . 29.5 m-85 -148.25 156.76 42.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -1.172 . . . . 0.0 110.791 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.886 HD13 ' CE2' ' A' ' 47' ' ' PHE . 1.5 mp -105.31 101.72 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -89.25 167.09 13.36 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.965 -1.084 . . . . 0.0 110.502 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.791 ' HA ' HD12 ' A' ' 63' ' ' LEU . 2.3 mp0 -46.92 -37.5 9.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.584 -0.698 . . . . 0.0 109.618 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -42.6 99.0 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.307 -0.871 . . . . 0.0 110.066 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.845 ' OE1' ' HB3' ' A' ' 52' ' ' ALA . 61.0 mm-40 -71.91 -22.08 61.54 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 60' ' ' GLU . 77.8 mt -74.06 -17.88 60.9 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 1.4 tttp -89.37 -30.46 18.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.0 108.979 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' LEU . 3.3 m-85 -94.78 -9.01 35.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.801 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.993 HG13 ' CD2' ' A' ' 67' ' ' LEU . 2.9 p -39.11 -25.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.219 -0.925 . . . . 0.0 111.084 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.993 ' CD2' HG13 ' A' ' 66' ' ' VAL . 2.0 mm? -86.66 -43.44 12.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.605 -1.31 . . . . 0.0 108.067 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HG2' ' HA ' ' A' ' 72' ' ' ALA . 6.3 ttpt -53.57 -28.1 30.11 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.401 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.867 ' CB ' ' H1 ' ' A' ' 0' ' ' ACE . 1.4 m -73.38 -30.15 63.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.868 -1.145 . . . . 0.0 109.942 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.562 ' N ' ' CD1' ' A' ' 70' ' ' PHE . 5.7 m-30 -93.47 -17.83 23.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.181 -0.949 . . . . 0.0 110.982 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.687 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -132.12 -34.09 1.28 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.725 -1.235 . . . . 0.0 110.359 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 71' ' ' ALA . . . 98.59 -44.31 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.62 36.13 0.57 Allowed 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.24 -78.61 0.96 Allowed Glycine 0 N--CA 1.486 1.97 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.325 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.538 ' O ' ' CB ' ' A' ' 76' ' ' ASP . 9.3 mmm-85 -90.59 -70.16 0.69 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -1.213 . . . . 0.0 111.566 -177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 5.3 t70 80.47 96.16 0.05 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 82' ' ' THR . 3.6 mm? -37.58 153.97 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.538 0.685 . . . . 0.0 110.846 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.619 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -98.87 -23.5 15.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.522 -0.736 . . . . 0.0 110.222 -179.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.619 ' CB ' ' O ' ' A' ' 78' ' ' THR . 87.0 m-20 124.76 -61.22 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 104.705 -2.332 . . . . 0.0 104.705 -177.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.83 -38.36 90.82 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.544 ' CG ' ' HA2' ' A' ' 22' ' ' GLY . 26.3 mt-10 -61.85 -35.63 78.84 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.956 0.884 . . . . 0.0 108.839 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.821 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.8 m -75.02 -22.29 58.56 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -81.25 -9.33 59.79 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.593 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.7 -47.46 8.23 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.541 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -48.43 81.79 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.56 -45.44 94.12 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.526 -0.734 . . . . 0.0 110.485 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.45 ' O ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -84.55 9.57 13.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.056 -1.028 . . . . 0.0 110.355 -179.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.468 ' HB1' ' CE1' ' A' ' 26' ' ' HIS . . . -117.35 -20.44 9.13 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.102 -0.999 . . . . 0.0 108.63 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HA ' ' HG ' ' A' ' 105' ' ' LEU . . . -114.16 -31.3 6.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.511 -0.743 . . . . 0.0 110.937 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -86.18 99.17 11.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.733 -1.229 . . . . 0.0 109.4 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -77.98 -50.53 11.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.233 -0.917 . . . . 0.0 109.493 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -74.39 -7.3 52.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.457 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 53.66 56.46 20.14 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.9 -26.63 20.35 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.146 . . . . 0.0 109.463 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.63 -18.5 17.28 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 133.1 45.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.045 -1.267 . . . . 0.0 110.079 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.472 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 46.7 mm -92.73 105.73 17.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CE2' ' A' ' 47' ' ' PHE . . . -78.71 -175.21 45.75 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.681 ' CD1' ' CD1' ' A' ' 47' ' ' PHE . 6.2 mm -68.11 -70.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.219 -1.165 . . . . 0.0 110.423 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 99' ' ' ILE . 29.6 m-20 -39.14 -37.06 0.36 Allowed 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.884 -1.135 . . . . 0.0 110.618 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -44.16 64.1 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.741 ' O ' HG23 ' A' ' 106' ' ' VAL . 10.4 t80 -67.77 -59.44 3.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.739 -0.6 . . . . 0.0 110.822 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.484 ' OE2' ' CB ' ' A' ' 40' ' ' ALA . 69.8 tt0 -58.83 -16.99 19.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.581 -1.324 . . . . 0.0 110.376 -178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 100' ' ' ASP . 1.5 m -86.2 -38.09 18.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.208 -0.932 . . . . 0.0 109.154 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.503 ' HG ' ' HA ' ' A' ' 89' ' ' ALA . 1.6 mm? -78.18 -53.66 7.11 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 109.793 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 102' ' ' PHE . 2.0 t -55.94 -40.87 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.462 -0.774 . . . . 0.0 109.883 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.662 ' NE2' HG21 ' A' ' 43' ' ' VAL . 12.0 m170 -65.87 -35.57 81.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.032 -1.043 . . . . 0.0 109.914 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 105' ' ' LEU . 11.8 pt-20 -88.24 -4.22 58.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.208 -0.933 . . . . 0.0 109.803 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.848 ' HB1' ' HA ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.667 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.77 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -112.56 -17.35 12.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.881 ' O ' HD23 ' A' ' 6' ' ' LEU . . . -106.79 17.38 23.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 108.9 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HG3' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -82.3 -39.39 22.96 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.401 -0.812 . . . . 0.0 109.372 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.422 ' OD1' ' HG3' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -64.63 -19.19 65.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.238 -0.914 . . . . 0.0 109.064 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -105.38 37.33 2.23 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.368 -0.832 . . . . 0.0 109.253 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.881 HD23 ' O ' ' A' ' 2' ' ' ALA . 1.4 mm? -133.27 -169.28 2.24 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.487 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.708 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -104.28 -9.37 18.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.255 -0.903 . . . . 0.0 109.504 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 7' ' ' LYS . . . 79.89 -75.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.472 -0.768 . . . . 0.0 109.543 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.37 -20.9 63.53 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.259 -0.9 . . . . 0.0 109.56 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 45.2 m-20 -71.51 -29.86 65.28 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.193 -0.942 . . . . 0.0 109.506 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 6' ' ' LEU . 2.5 mt -84.61 -26.67 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.542 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -82.1 -13.38 57.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 0.0 109.66 -179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.748 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -90.94 -46.02 8.41 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 121.296 -0.878 . . . . 0.0 108.826 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.87 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -69.34 -40.19 77.71 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.294 -0.879 . . . . 0.0 109.951 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.048 HD11 HD21 ' A' ' 67' ' ' LEU . 5.9 mp -72.33 -35.53 68.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.254 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -69.52 -20.13 63.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.083 -1.011 . . . . 0.0 109.586 179.251 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.21 -17.01 26.74 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.45 -0.782 . . . . 0.0 109.422 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 14' ' ' ALA . 29.8 m -116.72 -10.63 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 118.235 -1.386 . . . . 0.0 112.925 -178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -36.04 -32.5 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.929 -1.107 . . . . 0.0 111.143 -178.59 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.835 ' HB3' ' OG ' ' A' ' 23' ' ' SER . . . -49.05 175.75 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.008 -1.058 . . . . 0.0 109.665 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB3' HG21 ' A' ' 78' ' ' THR . 2.7 mp0 -102.9 68.78 1.02 Allowed 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.173 0.987 . . . . 0.0 109.024 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.491 ' HA2' ' HG3' ' A' ' 81' ' ' GLU . . . 132.84 13.82 1.55 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.835 ' OG ' ' HB3' ' A' ' 20' ' ' ALA . 8.6 p -89.78 5.48 45.88 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.393 -1.063 . . . . 0.0 110.736 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CD1' HG11 ' A' ' 18' ' ' VAL . 12.1 t80 -77.06 157.7 30.95 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 120.655 -1.278 . . . . 0.0 110.292 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -144.13 -33.68 0.4 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.589 -0.694 . . . . 0.0 109.611 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.768 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 1.2 p-80 100.68 -39.82 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.659 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 3.2 mttm -87.56 -41.66 13.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.325 -0.86 . . . . 0.0 108.854 178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.807 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -72.38 -32.63 66.59 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.348 -0.845 . . . . 0.0 109.539 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.87 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 88.0 t80 -71.25 -65.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.199 -0.938 . . . . 0.0 109.832 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.439 ' O ' HG12 ' A' ' 33' ' ' VAL . 12.7 m-85 -60.37 -31.41 70.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.317 -0.865 . . . . 0.0 110.372 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 27' ' ' LYS . . . -58.54 -42.94 89.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.069 -1.019 . . . . 0.0 110.126 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 28' ' ' LYS . 2.3 mt -74.66 -60.83 2.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.02 -1.05 . . . . 0.0 110.123 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 34' ' ' GLY . 5.0 p -41.78 -45.88 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.318 -0.864 . . . . 0.0 109.886 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.546 ' N ' HG13 ' A' ' 33' ' ' VAL . . . 107.32 39.77 1.89 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.902 HD12 ' HG2' ' A' ' 38' ' ' MET . 15.8 tp -95.95 14.29 24.07 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.051 -1.264 . . . . 0.0 108.699 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 107' ' ' HIS . 1.0 OUTLIER -90.75 4.23 52.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 110.806 -179.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -177.01 39.5 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.626 -1.296 . . . . 0.0 110.7 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.902 ' HG2' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -93.39 71.91 4.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.893 -1.129 . . . . 0.0 109.501 179.478 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER 51.79 90.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.424 -0.797 . . . . 0.0 110.237 179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.506 ' HB1' ' OE2' ' A' ' 103' ' ' GLU . . . -38.23 -40.37 0.51 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.452 -0.78 . . . . 0.0 110.695 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.8 -50.76 69.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 109.154 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' HB2' ' OG ' ' A' ' 39' ' ' SER . 13.4 m-20 -67.38 -7.7 27.05 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 108.9 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.716 HG21 ' HE1' ' A' ' 107' ' ' HIS . 96.1 t -86.39 -40.54 14.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.682 ' CG ' HG21 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -58.65 -28.58 65.83 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 178.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -74.41 -34.04 63.16 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 50' ' ' ILE . 50.1 t -65.91 -45.04 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.689 ' CG ' HD13 ' A' ' 99' ' ' ILE . 2.6 t80 -60.93 -51.54 68.86 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -40.95 -32.24 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' PHE . . . -81.03 -42.15 21.54 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.934 HG22 HG23 ' A' ' 58' ' ' ILE . 35.1 mm -54.73 -27.0 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.121 -0.987 . . . . 0.0 109.444 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.518 ' OD2' ' HA ' ' A' ' 54' ' ' ALA . 13.6 t70 -84.54 49.91 1.79 Allowed 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.85 0.833 . . . . 0.0 108.888 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' ASP . . . -29.37 -47.4 0.06 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 54' ' ' ALA . 56.1 p30 -86.8 38.04 0.78 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.387 -1.446 . . . . 0.0 111.18 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.518 ' HA ' ' OD2' ' A' ' 51' ' ' ASP . . . 27.77 43.83 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.966 -0.458 . . . . 0.0 111.857 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 27.6 p -98.61 17.34 19.38 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.777 -1.202 . . . . 0.0 108.114 179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 57' ' ' PHE . . . 57.54 16.28 21.37 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 109.111 -1.596 . . . . 0.0 109.111 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 48.9 m-85 -149.0 149.18 30.73 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.283 -1.128 . . . . 0.0 111.223 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.934 HG23 HG22 ' A' ' 50' ' ' ILE . 7.3 mm -88.49 108.39 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.76 160.66 17.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.921 -1.112 . . . . 0.0 110.257 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.67 ' CG ' HD22 ' A' ' 86' ' ' LEU . 1.1 mm-40 -50.41 -38.21 41.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.522 -0.736 . . . . 0.0 109.664 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.58 -34.05 76.25 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -71.96 -28.7 63.61 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.5 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 31.6 mt -68.38 -37.85 80.81 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.27 -44.83 95.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.378 -0.826 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 67' ' ' LEU . 5.6 m-85 -99.58 6.27 45.8 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 109.465 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.703 HG23 HG23 ' A' ' 50' ' ' ILE . 4.3 p -36.68 -27.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.507 -0.746 . . . . 0.0 111.284 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.048 HD21 HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -98.91 42.13 1.11 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.668 -1.27 . . . . 0.0 109.255 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -101.12 -21.99 14.82 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 68' ' ' LYS . 55.3 m -81.6 -19.89 40.93 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -92.97 -20.54 20.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.525 -0.734 . . . . 0.0 109.117 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.715 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -145.59 -28.76 0.44 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.282 -0.886 . . . . 0.0 110.745 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 71' ' ' ALA . . . 93.55 -38.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.36 33.34 0.57 Allowed 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.26 -76.95 0.93 Allowed Glycine 0 N--CA 1.487 2.086 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.703 ' HB2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -85.5 112.29 20.78 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.187 -1.184 . . . . 0.0 110.715 -178.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' LEU . 2.9 m-20 -111.05 92.32 4.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 82' ' ' THR . 6.7 mt -39.06 141.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.75 0.786 . . . . 0.0 110.75 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.639 ' O ' ' CB ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.13 -19.46 34.16 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.794 -0.566 . . . . 0.0 110.327 -179.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' A' ' 78' ' ' THR . 12.9 t0 127.26 -61.58 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.57 72.24 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG3' ' HA2' ' A' ' 22' ' ' GLY . 23.6 mt-10 -67.39 -29.66 69.24 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.998 0.904 . . . . 0.0 109.009 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.527 ' HA ' HD13 ' A' ' 77' ' ' LEU . 5.2 m -76.36 -25.59 54.82 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -82.42 -13.04 57.45 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.01 -50.44 6.01 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.436 ' CD1' HD22 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -58.93 -45.66 89.83 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD22 ' CG ' ' A' ' 60' ' ' GLU . 49.6 tp -67.33 -37.12 82.78 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.537 -0.727 . . . . 0.0 110.31 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -81.87 -9.68 59.53 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.938 -1.101 . . . . 0.0 110.41 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.955 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -113.4 -8.23 13.43 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.135 -0.978 . . . . 0.0 108.625 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.78 -34.97 7.92 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.548 -0.72 . . . . 0.0 109.304 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 5.7 t0 -93.74 -168.6 1.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.249 -0.907 . . . . 0.0 109.145 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 90' ' ' ASP . 17.6 tttt 172.51 -52.21 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 94' ' ' ASP . 25.2 p-10 -52.63 -21.5 4.02 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.177 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.28 23.81 42.72 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.426 -1.069 . . . . 0.0 110.426 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' CG ' ' OD2' ' A' ' 92' ' ' ASP . 17.5 p-10 -93.87 -26.78 16.76 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.986 -1.302 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.47 -12.9 59.93 Favored Glycine 0 N--CA 1.494 2.526 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 5.0 mttp -120.48 125.71 48.57 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -1.153 . . . . 0.0 109.377 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.612 ' O ' HG12 ' A' ' 58' ' ' ILE . 2.7 mp -91.96 102.1 13.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.387 -0.821 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.43 -166.36 4.96 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.689 HD13 ' CG ' ' A' ' 47' ' ' PHE . 12.4 mm -70.0 -72.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.22 -1.164 . . . . 0.0 110.064 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.501 ' C ' ' O ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -38.74 -39.28 0.49 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.209 -0.932 . . . . 0.0 110.187 -178.429 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -67.22 -46.06 74.96 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.689 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.561 ' O ' HG23 ' A' ' 106' ' ' VAL . 47.5 t80 -66.8 -57.4 7.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.722 -0.611 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.506 ' OE2' ' HB1' ' A' ' 40' ' ' ALA . 43.1 tt0 -66.81 -5.98 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.761 -1.212 . . . . 0.0 110.388 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 100' ' ' ASP . 1.8 m -90.65 -55.38 3.6 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.955 HD23 ' O ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -75.14 -11.35 60.06 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.477 -0.889 . . . . 0.0 109.351 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.569 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 51.3 t -90.02 -33.05 5.77 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.716 ' HE1' HG21 ' A' ' 43' ' ' VAL . 13.4 m80 -89.03 -15.69 33.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.356 -0.84 . . . . 0.0 109.245 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -107.82 27.86 8.79 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.505 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 27' ' ' LYS . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.445 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_